NIH 3D Small Molecules Models

Generated on: 2025-07-08 08:59:29

Total models: 576

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1. Thiamylal

Link: https://3d.nih.gov/entries/3DPX-021697

Description: Thiamylal is a member of the class of barbiturates that is 2-thioxodihydropyrimidine-4,6(1H,5H)-dione substituted by a pentan-2-yl and prop-2-en-1-yl group at position 5. It has a role as a sedativ...

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2. Betalains

Link: https://3d.nih.gov/entries/3DPX-021702

Description: No description available

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3. compound 2

Link: https://3d.nih.gov/entries/3DPX-021705

Description: s100a6 de novo drug

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4. Diquat

Link: https://3d.nih.gov/entries/3DPX-021744

Description: Diquat is the organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide. It has a role as a herbicide and...

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5. CID 138684045

Link: https://3d.nih.gov/entries/3DPX-021762

Description: No description available

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6. selegline

Link: https://3d.nih.gov/entries/3DPX-021795

Description: selegline maob

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7. (5-Amino-2-hydroxy-2-oxo-1,3,2lambda5-dioxaphosphinan-5-yl)methanol

Link: https://3d.nih.gov/entries/3DPX-021797

Description: No description available

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8. Lisinopril

Link: https://3d.nih.gov/entries/3DPX-021798

Description: Lisinopril is a dipeptide. It has a role as an EC 3.4.15.1 (peptidyl-dipeptidase A) inhibitor. It contains a L-prolino group and a L-lysine residue.

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9. Pseudouridine

Link: https://3d.nih.gov/entries/3DPX-021800

Description: Pseudouridine is a C-glycosyl pyrimidine that consists of uracil having a beta-D-ribofuranosyl residue attached at position 5. The C-glycosyl isomer of the nucleoside uridine. It has a role as a fu...

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10. Model of Chippiine alkaloid

Link: https://3d.nih.gov/entries/3DPX-021803

Description: Molecule for structure charecterization

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11. Itaconic acid

Link: https://3d.nih.gov/entries/3DPX-021804

Description: Itaconic acid is a dicarboxylic acid that is methacrylic acid in which one of the methyl hydrogens is substituted by a carboxylic acid group. It has a role as a fungal metabolite and a human metabo...

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12. Selegiline

Link: https://3d.nih.gov/entries/3DPX-021810

Description: (-)-selegiline is a selegiline and a terminal acetylenic compound. It has a role as a geroprotector. It is a conjugate base of a (-)-selegiline(1+).

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13. Hydroxymethylsuccinic acid

Link: https://3d.nih.gov/entries/3DPX-021812

Description: Hydroxymethylsuccinic acid is a hydroxy fatty acid.

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14. Isovaline

Link: https://3d.nih.gov/entries/3DPX-021819

Description: No description available

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15. Perophoramidine

Link: https://3d.nih.gov/entries/3DPX-021823

Description: No description available

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16. Mezigdomide

Link: https://3d.nih.gov/entries/3DPX-021824

Description: No description available

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17. Blu-5937

Link: https://3d.nih.gov/entries/3DPX-021825

Description: No description available

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18. (-)-Stephacidin A

Link: https://3d.nih.gov/entries/3DPX-021826

Description: No description available

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19. Omaveloxolone

Link: https://3d.nih.gov/entries/3DPX-021827

Description: Omaveloxolone is a semi-synthetic triterpenoid drug. It is an Nrf2 activator that is approved for the treatment of Friedreich's ataxia in adults and adolescents aged 16 years and older. It has a ro...

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20. Communesin B

Link: https://3d.nih.gov/entries/3DPX-021828

Description: No description available

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21. Atranorin

Link: https://3d.nih.gov/entries/3DPX-021831

Description: Atranorin is a carbonyl compound.

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22. 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil

Link: https://3d.nih.gov/entries/3DPX-021832

Description: 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil is an aminouracil that is D-ribitol in which the hydroxy group at position 1 is substituted by the 6-amino group of 6-amino-5-(2-oxopropylideneamino...

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23. Xylindein

Link: https://3d.nih.gov/entries/3DPX-021882

Description: Xylindein is a member of xanthenes.

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24. Octinoxate

Link: https://3d.nih.gov/entries/3DPX-021889

Description: Octyl 4-methoxycinnamic acid is a cinnamate ester.

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25. Trimebutine

Link: https://3d.nih.gov/entries/3DPX-021931

Description: 3,4,5-trimethoxybenzoic acid [2-(dimethylamino)-2-phenylbutyl] ester is a trihydroxybenzoic acid.

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26. Homosalate

Link: https://3d.nih.gov/entries/3DPX-021932

Description: 2-hydroxybenzoic acid (3,3,5-trimethylcyclohexyl) ester is a benzoate ester and a member of phenols. It is functionally related to a salicylic acid.

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27. Oxybenzone

Link: https://3d.nih.gov/entries/3DPX-021933

Description: Oxybenzone is a hydroxybenzophenone that is benzophenone which is substituted at the 2- and 4-positions of one of the benzene rings by hydroxy and methoxy groups respectively. It has a role as a de...

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28. Phenoxyethanol

Link: https://3d.nih.gov/entries/3DPX-021934

Description: 2-phenoxyethanol is an aromatic ether that is phenol substituted on oxygen by a 2-hydroxyethyl group. It has a role as an antiinfective agent and a central nervous system depressant. It is a primar...

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29. Hdac inhibitor CHR-3996

Link: https://3d.nih.gov/entries/3DPX-002201

Description: No description available

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30. Stylopine

Link: https://3d.nih.gov/entries/3DPX-002208

Description: No description available

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31. 2,4,6-Trinitrotoluene

Link: https://3d.nih.gov/entries/3DPX-002217

Description: 2,4,6-trinitrotoluene is a trinitrotoluene having the nitro groups at positions 2, 4 and 6. It has a role as an explosive. It is functionally related to a 1,3,5-trinitrobenzene.

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32. 1,2-Benzanthraquinone

Link: https://3d.nih.gov/entries/3DPX-002226

Description: No description available

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33. 5-Methylthioadenosine

Link: https://3d.nih.gov/entries/3DPX-002298

Description: 5-Methylthioadenosine Molecular Formula C11H15N5O3S Average mass 297.333 Da

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34. Fenatyl

Link: https://3d.nih.gov/entries/3DPX-002303

Description: No description available

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35. Resveratrol

Link: https://3d.nih.gov/entries/3DPX-002313

Description: Resveratrol is a stilbenol that is stilbene in which the phenyl groups are substituted at positions 3, 5, and 4' by hydroxy groups. It has a role as a phytoalexin, an antioxidant, a glioma-associat...

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36. Iohexol

Link: https://3d.nih.gov/entries/3DPX-002314

Description: Iohexol is a benzenedicarboxamide compound having N-(2,3-dihydroxypropyl)carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and an N-(2,3-dihydroxypropyl)ac...

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37. Melatonin

Link: https://3d.nih.gov/entries/3DPX-002315

Description: Melatonin is a member of the class of acetamides that is acetamide in which one of the hydrogens attached to the nitrogen atom is replaced by a 2-(5-methoxy-1H-indol-3-yl)ethyl group. It is a hormo...

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38. Iopamidol

Link: https://3d.nih.gov/entries/3DPX-002316

Description: Iopamidol is a benzenedicarboxamide compound having N-substituted carbamoyl groups at the 1- and 3-positions, iodo substituents at the 2-, 4- and 6-positions and a (2S)-2-hydroxypropanamido group a...

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39. Ioxilan

Link: https://3d.nih.gov/entries/3DPX-002317

Description: Ioxilan is an amidobenzoic acid.

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40. Ioversol

Link: https://3d.nih.gov/entries/3DPX-002318

Description: Ioversol is an amidobenzoic acid.

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41. CID 5212

Link: https://3d.nih.gov/entries/3DPX-002321

Description: Sildenfail is a vasoactive agent used to treat erectile dysfunction and reduce symptoms in patients with pulmonary arterial hypertension (PAH). Sildenafil elevates levels of the second messenger, c...

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42. Serotonin

Link: https://3d.nih.gov/entries/3DPX-002325

Description: Serotonin is a primary amino compound that is the 5-hydroxy derivative of tryptamine. It has a role as a human metabolite, a mouse metabolite and a neurotransmitter. It is a monoamine molecular mes...

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43. Propranolol

Link: https://3d.nih.gov/entries/3DPX-002328

Description: Propranolol is a propanolamine that is propan-2-ol substituted by a propan-2-ylamino group at position 1 and a naphthalen-1-yloxy group at position 3. It has a role as a beta-adrenergic antagonist,...

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44. Warfarin

Link: https://3d.nih.gov/entries/3DPX-002329

Description: 4-hydroxy-3-(3-oxo-1-phenylbutyl)-1-benzopyran-2-one is a member of the class of coumarins that is 4-hydroxycoumarin which is substituted at position 3 by a 1-phenyl-3-oxo-1-butyl group. It is a me...

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45. Capecitabine

Link: https://3d.nih.gov/entries/3DPX-002342

Description: Capecitabine is a carbamate ester that is cytidine in which the hydrogen at position 5 is replaced by fluorine and in which the amino group attached to position 4 is converted into its N-(penyloxy)...

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46. Choline

Link: https://3d.nih.gov/entries/3DPX-002344

Description: Choline is a choline that is the parent compound of the cholines class, consisting of ethanolamine having three methyl substituents attached to the amino function. It has a role as a neurotransmitt...

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47. 14 Base Pair B-DNA including T-T mismatch

Link: https://3d.nih.gov/entries/3DPX-002387

Description: No description available

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48. Pseudodesmin A

Link: https://3d.nih.gov/entries/3DPX-002388

Description: No description available

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49. try

Link: https://3d.nih.gov/entries/3DPX-002419

Description: No description available

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50. 18ax

Link: https://3d.nih.gov/entries/3DPX-002422

Description: No description available

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51. 2I0E_bisindolylmaleimide_inhibitor

Link: https://3d.nih.gov/entries/3DPX-002451

Description: Molecular structure of bisindolylmaleimide inhibitor, extracted from pdb entry 2I0E.

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52. Dopamine

Link: https://3d.nih.gov/entries/3DPX-002452

Description: Dopamine is catechol in which the hydrogen at position 4 is substituted by a 2-aminoethyl group. It has a role as a cardiotonic drug, a beta-adrenergic agonist, a dopaminergic agent, a sympathomime...

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53. 4-(Dimethylamino)chalcone

Link: https://3d.nih.gov/entries/3DPX-002457

Description: No description available

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54. DNA-RNA dodecamer

Link: https://3d.nih.gov/entries/3DPX-002464

Description: No description available

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55. (-)-Catechin

Link: https://3d.nih.gov/entries/3DPX-002466

Description: (-)-catechin is the (-)-enantiomer of catechin. It has a role as a metabolite. It is an enantiomer of a (+)-catechin.

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56. Tamoxifen

Link: https://3d.nih.gov/entries/3DPX-002481

Description: Tamoxifen is a tertiary amino compound and a stilbenoid. It has a role as an estrogen receptor antagonist, a bone density conservation agent, an estrogen receptor modulator, an estrogen antagonist,...

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57. alpha-Pinene

Link: https://3d.nih.gov/entries/3DPX-002482

Description: Alpha-pinene is a pinene that is bicyclo[3.1.1]hept-2-ene substituted by methyl groups at positions 2, 6 and 6 respectively. It has a role as a plant metabolite.

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58. Anastrozole

Link: https://3d.nih.gov/entries/3DPX-002484

Description: Anastrozole is a 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor. It is...

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59. Raloxifene

Link: https://3d.nih.gov/entries/3DPX-002486

Description: Raloxifene is a member of the class of 1-benzothiophenes that is 1-benzothiophene in which the hydrogens at positions 2, 3, and 6 have been replaced by p-hydroxyphenyl, p-[2-(piperidin-1-yl)ethoxy]...

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60. Exemestane

Link: https://3d.nih.gov/entries/3DPX-002487

Description: Exemestane is a 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase ...

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61. Letrozole

Link: https://3d.nih.gov/entries/3DPX-002488

Description: Letrozole is a member of triazoles and a nitrile. It has a role as an antineoplastic agent and an EC 1.14.14.14 (aromatase) inhibitor.

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62. H-DL-Gln-DL-Ala-DL-Val-DL-xiThr-OH

Link: https://3d.nih.gov/entries/3DPX-002502

Description: No description available

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63. Bisphenol A

Link: https://3d.nih.gov/entries/3DPX-002504

Description: Bisphenol A is a bisphenol that is 4,4'-methanediyldiphenol in which the methylene hydrogens are replaced by two methyl groups. It has a role as a xenoestrogen, an environmental contaminant, a xeno...

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64. Azacitidine

Link: https://3d.nih.gov/entries/3DPX-002516

Description: 5-azacytidine is an N-glycosyl-1,3,5-triazine that is 4-amino-1,3,5-triazin-2(1H)-one substituted by a beta-D-ribofuranosyl residue via an N-glycosidic linkage. An antineoplastic agent, it is used ...

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65. Bupropion

Link: https://3d.nih.gov/entries/3DPX-002530

Description: Bupropion is an aromatic ketone that is propiophenone carrying a tert-butylamino group at position 2 and a chloro substituent at position 3 on the phenyl ring. It has a role as an antidepressant, a...

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66. 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine

Link: https://3d.nih.gov/entries/3DPX-002531

Description: Varenicline is an organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking....

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67. Cytisine

Link: https://3d.nih.gov/entries/3DPX-002532

Description: Cytisine is an organic heterotricyclic compound that is the toxic principle in Laburnum seeds and is found in many members of the Fabaceae (legume, pea or bean) family. An acetylcholine agonist, it...

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68. CID 10248465

Link: https://3d.nih.gov/entries/3DPX-002533

Description: No description available

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69. (-)-Thalidomide

Link: https://3d.nih.gov/entries/3DPX-002534

Description: (S)-thalidomide is a 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has S-configuration at the chiral centre. It has a role as a teratogenic agent. It is an enantiomer of a (R)-thalido...

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70. (+)-Thalidomide

Link: https://3d.nih.gov/entries/3DPX-002535

Description: (R)-thalidomide is a 2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione that has R-configuration at the chiral centre. It has a role as a sedative. It is an enantiomer of a (S)-thalidomide.

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71. Hexamethonium

Link: https://3d.nih.gov/entries/3DPX-002541

Description: Hexamethonium is a quaternary ammonium salt.

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72. Dihydro-beta-erythroidine

Link: https://3d.nih.gov/entries/3DPX-002542

Description: Dihydro-beta-erythroidine is an organic heterotetracyclic compound resulting from the partial hydrogenation of the 1,3-diene moiety of beta-erythroidine to give the corresponding 2-ene. It has a ro...

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73. Sulfathiazole

Link: https://3d.nih.gov/entries/3DPX-002546

Description: Sulfathiazole is a 1,3-thiazole compound having a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antiinfective agent, an environmental contaminant, a xenobiotic, an EC 2.5.1...

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74. 1,4-Dihydroxy-2-ethoxymethylanthraquinone

Link: https://3d.nih.gov/entries/3DPX-002556

Description: No description available

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75. Cocaine

Link: https://3d.nih.gov/entries/3DPX-002558

Description: Cocaine is a tropane alkaloid obtained from leaves of the South American shrub Erythroxylon coca. It has a role as a local anaesthetic, a central nervous system stimulant, a sodium channel blocker,...

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76. Ethanol

Link: https://3d.nih.gov/entries/3DPX-002562

Description: Ethanol is a primary alcohol that is ethane in which one of the hydrogens is substituted by a hydroxy group. It has a role as an antiseptic drug, a polar solvent, a neurotoxin, a central nervous sy...

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77. Menthol

Link: https://3d.nih.gov/entries/3DPX-002568

Description: menthol

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78. hydrogen peroxide

Link: https://3d.nih.gov/entries/3DPX-002573

Description: Hydrogen peroxide is a colorless liquid at room temperature with a bitter taste. Small amounts of gaseous hydrogen peroxide occur naturally in the air. Hydrogen peroxide is unstable, decomposing re...

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79. Formaldehyde

Link: https://3d.nih.gov/entries/3DPX-002575

Description: Formaldehyde is an aldehyde resulting from the formal oxidation of methanol. It has a role as a carcinogenic agent, an allergen, an EC 3.5.1.4 (amidase) inhibitor, a disinfectant, an environmental ...

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80. Dicyclopentadiene

Link: https://3d.nih.gov/entries/3DPX-002576

Description: Dicyclopentadiene is a cyclic olefin.

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81. Ibuprofen

Link: https://3d.nih.gov/entries/3DPX-002579

Description: Ibuprofen is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(2-methylpropyl)phenyl group. It has a role as a non-steroidal anti-infla...

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82. Tryptophol

Link: https://3d.nih.gov/entries/3DPX-002582

Description: Tryptophol is an indolyl alcohol that is ethanol substituted by a 1H-indol-3-yl group at position 2. It has a role as a Saccharomyces cerevisiae metabolite, an auxin and a plant metabolite.

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83. ethane- PubChem 6324

Link: https://3d.nih.gov/entries/3DPX-002583

Description: No description available

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84. N-[(1S,2S)-2-Methylcyclohexyl]-N'-phenylurea

Link: https://3d.nih.gov/entries/3DPX-002588

Description: No description available

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85. Diuron

Link: https://3d.nih.gov/entries/3DPX-002589

Description: Diuron is a member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which both of the hydrogens attached to one nitrogen are substituted by methyl groups, and one of the...

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86. Acetylene

Link: https://3d.nih.gov/entries/3DPX-002590

Description: Acetylene is a terminal acetylenic compound, a gas molecular entity and an alkyne.

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87. CID 44257

Link: https://3d.nih.gov/entries/3DPX-002592

Description: Sapropterin is a Phenylalanine Hydroxylase Activator. The mechanism of action of sapropterin is as a Phenylalanine Hydroxylase Activator, and Breast Cancer Resistance Protein Inhibitor, and P-Glyco...

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88. HAPPYNEWYEAR

Link: https://3d.nih.gov/entries/3DPX-002593

Description: No description available

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89. CID 445040

Link: https://3d.nih.gov/entries/3DPX-002594

Description: A natural product that has been considered as a growth factor for some insects.

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90. Carvacrol

Link: https://3d.nih.gov/entries/3DPX-002596

Description: Carvacrol is a phenol that is a natural monoterpene derivative of cymene. An inhibitor of bacterial growth, it is used as a food additive. Potent activator of the human ion channels transient recep...

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91. 2,2-Bis(4-(3,4-dicarboxyphenoxy)phenyl)propane dianhydride

Link: https://3d.nih.gov/entries/3DPX-002600

Description: No description available

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92. CID 65253

Link: https://3d.nih.gov/entries/3DPX-002601

Description: No description available

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93. Methamphetamine

Link: https://3d.nih.gov/entries/3DPX-002602

Description: Methamphetamine is a member of the class of amphetamines in which the amino group of (S)-amphetamine carries a methyl substituent. It has a role as a neurotoxin, a psychotropic drug, a central nerv...

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94. Sucrose

Link: https://3d.nih.gov/entries/3DPX-002603

Description: Sucrose is a glycosyl glycoside formed by glucose and fructose units joined by an acetal oxygen bridge from hemiacetal of glucose to the hemiketal of the fructose. It has a role as an osmolyte, a s...

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95. m-Phenylenediamine

Link: https://3d.nih.gov/entries/3DPX-002605

Description: 1,3-phenylenediamine is a phenylenediamine taht is benzene substituted at positions 1 and 3 with amino functions.

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96. 4,4'-Dichlorodiphenyl sulfone

Link: https://3d.nih.gov/entries/3DPX-002607

Description: Crystals or off-white powder. (NTP, 1992)

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97. hydroquinone

Link: https://3d.nih.gov/entries/3DPX-002608

Description: Hydroquinone is a Melanin Synthesis Inhibitor. The mechanism of action of hydroquinone is as a Melanin Synthesis Inhibitor. The physiologic effect of hydroquinone is by means of Depigmenting Activity.

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98. Phosgene

Link: https://3d.nih.gov/entries/3DPX-002609

Description: Phosgene is an acyl chloride obtained by substitution of both hydrogens of formaldehyde by chlorine. It is functionally related to a formaldehyde.

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99. Styrene

Link: https://3d.nih.gov/entries/3DPX-002610

Description: Styrene is a vinylarene that is benzene carrying a vinyl group. It has been isolated from the benzoin resin produced by Styrax species. It has a role as a mutagen, a plant metabolite and a mouse me...

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100. Acrylonitrile

Link: https://3d.nih.gov/entries/3DPX-002611

Description: Acrylonitrile is a nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an ethenyl group. It has a role as a carcinogenic agent, an antifungal agent, a fungal metabolite, a p...

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101. L-Lactide

Link: https://3d.nih.gov/entries/3DPX-002612

Description: No description available

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102. 1,3-BUTADIENE

Link: https://3d.nih.gov/entries/3DPX-002613

Description: Motor vehicle exhaust is a constant source of 1,3-butadiene. Although 1,3-butadiene breaks down quickly in the atmosphere, it is usually found in ambient air at low levels in urban and suburban are...

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103. Azacyclotridecan-2-one

Link: https://3d.nih.gov/entries/3DPX-002614

Description: Laurolactam is an azamacrocycle and a keratan 6'-sulfate.

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104. Butyl acrylate

Link: https://3d.nih.gov/entries/3DPX-002616

Description: Butyl acrylate is an acrylate ester obtained by the formal condensation of the hydroxy group of butan-1-ol with the carboxy group of acrylic acid. It is functionally related to a butan-1-ol and an ...

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105. Methacrylic acid

Link: https://3d.nih.gov/entries/3DPX-002617

Description: Methacrylic acid is an alpha,beta-unsaturated monocarboxylic acid that is acrylic acid in which the hydrogen at position 2 is substituted by a methyl group. It is functionally related to an acrylic...

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106. Methyl methacrylate

Link: https://3d.nih.gov/entries/3DPX-002618

Description: Methyl methacrylate is an enoate ester having methacrylic acid as the carboxylic acid component and methanol as the alcohol component. It has a role as an allergen and a polymerisation monomer. It ...

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107. Terephthalic acid

Link: https://3d.nih.gov/entries/3DPX-002619

Description: Terephthalic acid is a benzenedicarboxylic acid carrying carboxy groups at positions 1 and 4. One of three possible isomers of benzenedicarboxylic acid, the others being phthalic and isophthalic ac...

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108. Ethylene Glycol

Link: https://3d.nih.gov/entries/3DPX-002620

Description: Ethylene glycol is a 1,2-glycol compound produced via reaction of ethylene oxide with water. It has a role as a metabolite, a toxin, a solvent and a mouse metabolite. It is a glycol and an ethanediol.

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109. Ethylene

Link: https://3d.nih.gov/entries/3DPX-002621

Description: Ethene is an alkene and a gas molecular entity. It has a role as a refrigerant and a plant hormone.

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110. Propylene

Link: https://3d.nih.gov/entries/3DPX-002622

Description: Propene is an alkene that is propane with a double bond at position 1. It has a role as a refrigerant and a xenobiotic. It is an alkene and a gas molecular entity.

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111. Vinyl Chloride

Link: https://3d.nih.gov/entries/3DPX-002623

Description: Chloroethene is a monohaloethene that is ethene in which one of the hydrogens has been replaced by a chloro group. It has a role as a carcinogenic agent. It is a member of chloroethenes, a monohalo...

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112. Poly(lactic acid-co-glycolic acid)

Link: https://3d.nih.gov/entries/3DPX-002632

Description: Poly(D,L-lactic acid-co-glycolic acid) is a copolymer composed of 2-hydroxypropanoyl and 2-hydroxyacetyl units. It is a copolymer macromolecule and a polyester macromolecule.

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113. 5-Amino-6 (5'phosphoribitylamino)uracil

Link: https://3d.nih.gov/entries/3DPX-002638

Description: No description available

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114. (9-(111C)methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl) (2S)-3-hydroxy-2-phenylpropanoate

Link: https://3d.nih.gov/entries/3DPX-002651

Description: No description available

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115. Diphenhydramine

Link: https://3d.nih.gov/entries/3DPX-002657

Description: Diphenhydramine is an ether that is the benzhydryl ether of 2-(dimethylamino)ethanol. It is a H1-receptor antagonist used as a antipruritic and antitussive drug. It has a role as a H1-receptor anta...

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116. Nitroglycerin

Link: https://3d.nih.gov/entries/3DPX-002659

Description: Nitroglycerin is a nitroglycerol that is glycerol in which the hydrogen atoms of all three hydroxy groups are replaced by nitro groups. It acts as a prodrug, releasing nitric oxide to open blood ve...

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117. Tebuthiuron

Link: https://3d.nih.gov/entries/3DPX-002672

Description: Tebuthiuron is an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.

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118. yellow new

Link: https://3d.nih.gov/entries/3DPX-002674

Description: No description available

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119. yellow 62

Link: https://3d.nih.gov/entries/3DPX-002675

Description: No description available

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120. Salicylic Acid

Link: https://3d.nih.gov/entries/3DPX-002677

Description: Salicylic acid is a monohydroxybenzoic acid that is benzoic acid with a hydroxy group at the ortho position. It is obtained from the bark of the white willow and wintergreen leaves. It has a role a...

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121. Citric Acid

Link: https://3d.nih.gov/entries/3DPX-002678

Description: Citric acid is a tricarboxylic acid that is propane-1,2,3-tricarboxylic acid bearing a hydroxy substituent at position 2. It is an important metabolite in the pathway of all aerobic organisms. It h...

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122. Cyclosporin

Link: https://3d.nih.gov/entries/3DPX-002710

Description: No description available

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123. Mefenamic acid

Link: https://3d.nih.gov/entries/3DPX-002724

Description: Mefenamic acid is an aminobenzoic acid that is anthranilic acid in which one of the hydrogens attached to the nitrogen is replaced by a 2,3-dimethylphenyl group. Although classed as a non-steroidal...

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124. benzene1

Link: https://3d.nih.gov/entries/3DPX-002734

Description: No description available

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125. Euphorbiasteroid

Link: https://3d.nih.gov/entries/3DPX-002735

Description: No description available

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126. C15H11NO6S2

Link: https://3d.nih.gov/entries/3DPX-002740

Description: No description available

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127. butanol

Link: https://3d.nih.gov/entries/3DPX-002743

Description: No description available

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128. Lauric acid

Link: https://3d.nih.gov/entries/3DPX-002745

Description: No description available

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129. 4MKClig

Link: https://3d.nih.gov/entries/3DPX-002749

Description: No description available

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130. Triglucose substrate for Processing Alpha-Glucosidase I

Link: https://3d.nih.gov/entries/3DPX-002753

Description: This Glc3 trisaccharide [Glucose a(1->2) glucose a(1->3) glucose] consists of the 3 terminal sugar monomers found at the non-reducing end of the Glc3Man9GlcNAc2 oligosaccharide. This ol...

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131. Atorvastatin

Link: https://3d.nih.gov/entries/3DPX-002767

Description: Atorvastatin is a dihydroxy monocarboxylic acid that is a member of the drug class known as statins, used primarily for lowering blood cholesterol and for preventing cardiovascular diseases. It has...

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132. [2-[1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] cyclopropanecarboxylate

Link: https://3d.nih.gov/entries/3DPX-002780

Description: No description available

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133. Robotnikinin

Link: https://3d.nih.gov/entries/3DPX-002781

Description: No description available

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134. Treprostinil

Link: https://3d.nih.gov/entries/3DPX-002789

Description: Treprostinil is a carboxylic acid and a carbotricyclic compound. It has a role as a platelet aggregation inhibitor, a vasodilator agent, an antihypertensive agent, a cardiovascular drug, a vitamin ...

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135. 3-(2,4,6-Tribromoanilino)propane-1,2-diol

Link: https://3d.nih.gov/entries/3DPX-002793

Description: No description available

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136. 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine

Link: https://3d.nih.gov/entries/3DPX-002794

Description: 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine is a tetrahydropyridine that is 1,2,3,6-tetrahydropyridine substituted by a methyl group at position 1 and a phenyl group at position 4. It has a role a...

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137. Methyl 2-(3-amino-2,4,5,7-tetrabromo-6-iminoxanthen-9-yl)benzoate

Link: https://3d.nih.gov/entries/3DPX-002797

Description: No description available

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138. Fluralaner

Link: https://3d.nih.gov/entries/3DPX-002802

Description: No description available

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139. Ribavirin

Link: https://3d.nih.gov/entries/3DPX-002810

Description: Ribavirin is a 1-ribosyltriazole that is the 1-ribofuranosyl derivative of 1,2,4-triazole-3-carboxamide. A synthetic guanosine analogue, it is an inhibitor of HCV polymerase and possesses a broad s...

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140. propionic acid

Link: https://3d.nih.gov/entries/3DPX-002811

Description: Propionic acid is a colorless liquid with a sharp rancid odor. Produces irritating vapor. (USCG, 1999)

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141. etilmetileter

Link: https://3d.nih.gov/entries/3DPX-002814

Description: No description available

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142. Biopterin from 1SEP

Link: https://3d.nih.gov/entries/3DPX-002819

Description: The biopterin ligand from the speiapterin reductase structure in 1sep.pdb

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143. 2NIP

Link: https://3d.nih.gov/entries/3DPX-002828

Description: No description available

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144. Colesterol

Link: https://3d.nih.gov/entries/3DPX-002832

Description: No description available

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145. Propylene carbonate

Link: https://3d.nih.gov/entries/3DPX-002833

Description: No description available

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146. ibuprofen

Link: https://3d.nih.gov/entries/3DPX-002834

Description: Ibuprofen, a propionic acid derivative, is a prototypical nonsteroidal anti-inflammatory agent (NSAIA) with analgesic and antipyretic properties.

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147. cholesterol

Link: https://3d.nih.gov/entries/3DPX-002835

Description: Cholesterol is an animal sterol found in the body tissues (and blood plasma) of vertebrates. It can be found in large concentrations within the liver, spinal cord, and brain. Cholesteroli...

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148. ferrocene d5h HOMO

Link: https://3d.nih.gov/entries/3DPX-002855

Description: No description available

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149. FERROCEN

Link: https://3d.nih.gov/entries/3DPX-002857

Description: No description available

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150. 2NIP Core 5A

Link: https://3d.nih.gov/entries/3DPX-002867

Description: No description available

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151. Pentulose, 5-phosphate

Link: https://3d.nih.gov/entries/3DPX-002872

Description: No description available

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152. Metoxuron

Link: https://3d.nih.gov/entries/3DPX-002875

Description: Metoxuron is a member of the class of 3-(3,4-substituted-phenyl)-1,1-dimethylureas that is urea in which one of the nitrogens is substituted by a 3-chloro-4-methoxyphenyl group while the other is s...

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153. (2S)-2-butoxybutan-1-ol

Link: https://3d.nih.gov/entries/3DPX-002877

Description: No description available

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154. Triclabendazole-D3

Link: https://3d.nih.gov/entries/3DPX-002881

Description: No description available

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155. (4-Methylbicyclo[2.2.2]octan-1-yl)methanamine

Link: https://3d.nih.gov/entries/3DPX-002884

Description: No description available

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156. Benzo[b]thiophene-3-carboxaldehyde, 5-(trifluoromethyl)-

Link: https://3d.nih.gov/entries/3DPX-002885

Description: No description available

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157. 7,8-Diaminononanoic acid

Link: https://3d.nih.gov/entries/3DPX-002886

Description: 7,8-diaminononanoic acid is an amino fatty acid carrying amino substituents at positions 7 and 8. Some of its isomers are naturally occurring intermediates of biotin synthesis, and targets of antim...

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158. 2,3-Butanedione

Link: https://3d.nih.gov/entries/3DPX-002887

Description: Butane-2,3-dione is an alpha-diketone that is butane substituted by oxo groups at positions 2 and 3. It is a metabolite produced during the malolactic fermentation. It has a role as a Saccharomyces...

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159. DOPC

Link: https://3d.nih.gov/entries/3DPX-002896

Description: conformation of DOPC molecule taken from MD trajectory of mine

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160. 6-Pentadeca-1,3,6,9-tetraenyloxan-2-one

Link: https://3d.nih.gov/entries/3DPX-002906

Description: No description available

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161. (-)-Carvone

Link: https://3d.nih.gov/entries/3DPX-002907

Description: (-)-carvone is a carvone having (R) configuration. It is an enantiomer of a (+)-carvone.

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162. l-Menthol

Link: https://3d.nih.gov/entries/3DPX-002913

Description: (-)-menthol is a p-menthan-3-ol which has (1R,2S,5R)-stereochemistry. It is the most common naturally occurring enantiomer. It has a role as an antipruritic drug, an antitussive and an antispasmodi...

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163. Menthol

Link: https://3d.nih.gov/entries/3DPX-002915

Description: D,l-menthol is a white crystalline solid with a peppermint odor and taste. (NTP, 1992)

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164. 4-(4-Hydroxyphenyl)-2-butanone

Link: https://3d.nih.gov/entries/3DPX-002919

Description: Raspberry ketone is a ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at position 4 by a hydroxy group. It is found in a variety of fruits including raspberries, blackber...

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165. d-Carvone

Link: https://3d.nih.gov/entries/3DPX-002920

Description: (+)-carvone is a carvone having (S) configuration. It is an enantiomer of a (-)-carvone.

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166. Cinnamaldehyde

Link: https://3d.nih.gov/entries/3DPX-002922

Description: (E)-cinnamaldehyde is the E (trans) stereoisomer of cinnamaldehyde, the parent of the class of cinnamaldehydes. It has a role as a hypoglycemic agent, an EC 4.3.1.24 (phenylalanine ammonia-lyase) i...

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167. D-Limonene

Link: https://3d.nih.gov/entries/3DPX-002923

Description: (4R)-limonene is an optically active form of limonene having (4R)-configuration. It has a role as a plant metabolite. It is an enantiomer of a (4S)-limonene.

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168. Methyl Salicylate

Link: https://3d.nih.gov/entries/3DPX-002924

Description: Methyl salicylate is a benzoate ester that is the methyl ester of salicylic acid. It has a role as a flavouring agent, a metabolite and an insect attractant. It is a benzoate ester, a member of sal...

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169. Methylphenidate

Link: https://3d.nih.gov/entries/3DPX-002927

Description: Methyl phenyl(piperidin-2-yl)acetate is a amino acid ester that is methyl phenylacetate in which one of the hydrogens alpha to the carbonyl group is replaced by a piperidin-2-yl group. It is a memb...

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170. 2NIP 91a 5A

Link: https://3d.nih.gov/entries/3DPX-002964

Description: No description available

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171. Eflornithine

Link: https://3d.nih.gov/entries/3DPX-002965

Description: Eflornithine is a fluoroamino acid that is ornithine substituted by a difluoromethyl group at position 2. It has a role as a trypanocidal drug. It is a fluoroamino acid and an alpha-amino acid. It ...

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172. Sulindac

Link: https://3d.nih.gov/entries/3DPX-002966

Description: Sulindac is a monocarboxylic acid that is 1-benzylidene-1H-indene which is substituted at positions 2, 3, and 5 by methyl, carboxymethyl, and fluorine respectively, and in which the phenyl group of...

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173. DOPC - dioleoylphosphatidylcholine

Link: https://3d.nih.gov/entries/3DPX-002972

Description: No description available

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174. 2,5-difluoro-N-[2-(2-thienyl)-2-(2-thienylsulfonyl)ethyl]benzenesulfonamide

Link: https://3d.nih.gov/entries/3DPX-002984

Description: No description available

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175. 2-Amino-3-methylsuccinic acid

Link: https://3d.nih.gov/entries/3DPX-002985

Description: No description available

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176. Benzol

Link: https://3d.nih.gov/entries/3DPX-002989

Description: No description available

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177. 4-[(4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline

Link: https://3d.nih.gov/entries/3DPX-002990

Description: Rosanilin free base is an imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which the hydrogens of the methylidene group are replaced by 4-aminophenyl and 3-methyl-4-aminophenyl groups. The ...

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178. Sulfadiazine

Link: https://3d.nih.gov/entries/3DPX-003004

Description: Sulfadiazine is a sulfonamide consisting of pyrimidine with a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antimicrobial agent, an antiinfective agent, a coccidiostat, an ...

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179. PLM for HSA Model

Link: https://3d.nih.gov/entries/3DPX-003007

Description: No description available

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180. Oxygen

Link: https://3d.nih.gov/entries/3DPX-003008

Description: Oxygen is a colorless, odorless and tasteless gas. It will support life. It is noncombustible, but will actively support the burning of combustible materials. Some materials that will not burn in a...

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181. Ampicillin

Link: https://3d.nih.gov/entries/3DPX-003009

Description: Ampicillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. It has a role as an antibacterial drug. It is a penicillin, a penicillin al...

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182. Lisdexamfetamine

Link: https://3d.nih.gov/entries/3DPX-003010

Description: Lisdexamfetamine is an amino acid amide.

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183. Methanesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-003011

Description: Methanesulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is methyl. It has a role as an Escherichia coli metabolite. It is an alkanesulfoni...

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184. Arabinofuranosyluracil

Link: https://3d.nih.gov/entries/3DPX-003012

Description: Spongouridin is a pyrimidine nucleoside.

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185. Triphenylphosphine

Link: https://3d.nih.gov/entries/3DPX-003013

Description: Triphenylphosphine is a member of the class of tertiary phosphines that is phosphane in which the three hydrogens are replaced by phenyl groups. It has a role as a reducing agent. It is a member of...

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186. Tetracycline

Link: https://3d.nih.gov/entries/3DPX-003014

Description: Tetracycline is a broad-spectrum polyketide antibiotic produced by the Streptomyces genus of actinobacteria. It has a role as an antimicrobial agent, an antibacterial drug, an antiprotozoal drug, a...

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187. Ciprofloxacin

Link: https://3d.nih.gov/entries/3DPX-003015

Description: Ciprofloxacin is a quinolone that is quinolin-4(1H)-one bearing cyclopropyl, carboxylic acid, fluoro and piperazin-1-yl substituents at positions 1, 3, 6 and 7, respectively. It has a role as an an...

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188. 2NIP 5A Bonds

Link: https://3d.nih.gov/entries/3DPX-003026

Description: No description available

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189. Chloramphenicol

Link: https://3d.nih.gov/entries/3DPX-003029

Description: Chloramphenicol is an organochlorine compound that is dichloro-substituted acetamide containing a nitrobenzene ring, an amide bond and two alcohol functions. It has a role as an antimicrobial agent...

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190. Fluorotriphenylmethane

Link: https://3d.nih.gov/entries/3DPX-003032

Description: No description available

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191. Triphenylmethyl chloride

Link: https://3d.nih.gov/entries/3DPX-003033

Description: No description available

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192. Cyclopropane

Link: https://3d.nih.gov/entries/3DPX-003035

Description: Cyclopropane is a cycloalkane composed of three carbon atoms to form a ring. It has a role as an inhalation anaesthetic. It is a cycloalkane and a member of cyclopropanes.

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193. (1aalpha,3aalpha,4aalpha,4balpha,4cbeta,4dbeta)-1alpha,4alpha,2alpha,3alpha-[1,2]Ethanediylidenedecahydrocyclopenta[cd]cyclopropa[gh]pentalene

Link: https://3d.nih.gov/entries/3DPX-003038

Description: No description available

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194. CYCLOPENTANE

Link: https://3d.nih.gov/entries/3DPX-003039

Description: Cyclopentane is a clear colorless liquid with a petroleum-like odor. Flash point of -35 °F. Less dense than water and insoluble in water. Vapors are heavier than air. - See more at: http://3dprint....

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195. CYCLOBUTANE

Link: https://3d.nih.gov/entries/3DPX-003040

Description: Gas that condenses to a liquid at 55 °F. Insoluble in water. Soluble in alcohol, acetone and ether. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket....

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196. Rifamycin

Link: https://3d.nih.gov/entries/3DPX-003044

Description: Rifamycin SV is a member of the class of rifamycins that exhibits antibiotic and antitubercular properties. It has a role as a bacterial metabolite, an antimicrobial agent and an antitubercular age...

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197. mm

Link: https://3d.nih.gov/entries/3DPX-003048

Description: No description available

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198. mm1

Link: https://3d.nih.gov/entries/3DPX-003060

Description: No description available

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199. Ascorbic Acid

Link: https://3d.nih.gov/entries/3DPX-003064

Description: L-ascorbic acid is the L-enantiomer of ascorbic acid and conjugate acid of L-ascorbate. It has a role as a coenzyme, a flour treatment agent, a food antioxidant, a plant metabolite, a cofactor, a s...

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200. Furo[2,3d]pyrimidine antifolate

Link: https://3d.nih.gov/entries/3DPX-003065

Description: No description available

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201. S-Propylene Oxide

Link: https://3d.nih.gov/entries/3DPX-003066

Description: S-Propylene Oxide

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202. (S)-(-)-Propylene oxide

Link: https://3d.nih.gov/entries/3DPX-003067

Description: (S)-1,2-epoxypropane is a 1,2-epoxypropane. It is an enantiomer of a (R)-1,2-epoxypropane.

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203. (R)-(+)-propylene oxide

Link: https://3d.nih.gov/entries/3DPX-003068

Description: (R)-1,2-epoxypropane is a 1,2-epoxypropane. It is an enantiomer of a (S)-1,2-epoxypropane.

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204. R-Propylene Oxide

Link: https://3d.nih.gov/entries/3DPX-003069

Description: No description available

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205. Flavylium

Link: https://3d.nih.gov/entries/3DPX-003071

Description: Flavylium is a member of the class of chromenyliums that is chromenylium with a phenyl substituent at position 2. It is functionally related to a chromenylium.

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206. Tetraphenylcyclobutadiene

Link: https://3d.nih.gov/entries/3DPX-003073

Description: No description available

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207. Carbidopa

Link: https://3d.nih.gov/entries/3DPX-003075

Description: Carbidopa (anhydrous) is 3-(3,4-Dihydroxyphenyl)propanoic acid in which the hydrogens alpha- to the carboxyl group are substituted by hydrazinyl and methyl groups (S-configuration). Carbidopa is a ...

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208. CID 55264

Link: https://3d.nih.gov/entries/3DPX-003076

Description: No description available

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209. caffeine run through netfabb

Link: https://3d.nih.gov/entries/3DPX-003078

Description: No description available

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210. Oleic Acid

Link: https://3d.nih.gov/entries/3DPX-003084

Description: Oleic acid is an octadec-9-enoic acid in which the double bond at C-9 has Z (cis) stereochemistry. It has a role as an EC 3.1.1.1 (carboxylesterase) inhibitor, an Escherichia coli metabolite, a pla...

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211. Cyclonite

Link: https://3d.nih.gov/entries/3DPX-003087

Description: 1,3,5-trinitro-1,3,5-triazinane is an N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens have been replaced by nitro groups. It is widely used i...

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212. triacetin

Link: https://3d.nih.gov/entries/3DPX-003102

Description: A triglyceride that is used as an antifungal agent.

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213. Levothyroxine

Link: https://3d.nih.gov/entries/3DPX-003103

Description: L-thyroxine is the L-enantiomer of thyroxine. It has a role as a thyroid hormone, an antithyroid drug, a human metabolite and a mouse metabolite. It is a thyroxine, an iodophenol, a 2-halophenol, a...

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214. Cubane

Link: https://3d.nih.gov/entries/3DPX-003105

Description: Cubane PubChem 136090

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215. Gefitinib

Link: https://3d.nih.gov/entries/3DPX-003112

Description: Gefitinib is a member of the class of quinazolines that is quinazoline which is substituted by a (3-chloro-4-fluorophenyl)nitrilo group, 3-(morpholin-4-yl)propoxy group and a methoxy group at posit...

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216. S-Propylene Oxide

Link: https://3d.nih.gov/entries/3DPX-003113

Description: No description available

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217. Paclitaxel; (Taxol)

Link: https://3d.nih.gov/entries/3DPX-003114

Description: Paclitaxel is a compound extracted from the Pacific yew tree Taxus brevifolia with antineoplastic activity. Paclitaxel binds to tubulin and inhibits the disassembly of microtubules, thereby resulti...

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218. Cladosporin

Link: https://3d.nih.gov/entries/3DPX-003123

Description: No description available

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219. Silver-mediated DNA tetramer

Link: https://3d.nih.gov/entries/3DPX-003124

Description: Double strand of cytosine DNA homopolymer. The duplex is bridged by Ag cations and reinforced by interplanar hydrogen bonds. http://pubs.acs.org/doi/10.1021/acs.jpclett.5b01864

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220. C-60 Buckyball

Link: https://3d.nih.gov/entries/3DPX-003126

Description: No description available

---

221. Sulflower

Link: https://3d.nih.gov/entries/3DPX-003127

Description: No description available

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222. Cipargamin

Link: https://3d.nih.gov/entries/3DPX-003128

Description: No description available

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223. 7-Deaza-2'-C-acetylene-adenosine

Link: https://3d.nih.gov/entries/3DPX-003129

Description: No description available

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224. 2-Phenyldodecane

Link: https://3d.nih.gov/entries/3DPX-003130

Description: No description available

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225. Niraparib

Link: https://3d.nih.gov/entries/3DPX-003144

Description: Niraparib is a 2-[4-(piperidin-3-yl)phenyl]-2H-indazole-7-carboxamide that has S-configuration. It is a potent inhibitor of PARP1 and PARP2 (IC50 of 3.8 and 2.1 nM, respectively) and approved as a ...

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226. Adenine

Link: https://3d.nih.gov/entries/3DPX-003151

Description: Adenine is the parent compound of the 6-aminopurines, composed of a purine having an amino group at C-6. It has a role as a human metabolite, a Daphnia magna metabolite, a Saccharomyces cerevisiae ...

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227. CID 764

Link: https://3d.nih.gov/entries/3DPX-003152

Description: Guanine is a purine base that is a constituent of nucleotides occurring in nucleic acids.

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228. cytosine

Link: https://3d.nih.gov/entries/3DPX-003153

Description: Cytosine is a pyrimidine base found in DNA and RNA that pairs with guanine.

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229. Thymine

Link: https://3d.nih.gov/entries/3DPX-003154

Description: Thymine is a pyrimidine nucleobase that is uracil in which the hydrogen at position 5 is replaced by a methyl group. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse ...

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230. Sialoglycan

Link: https://3d.nih.gov/entries/3DPX-003156

Description: A ligand that binds to Hemagglutinin

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231. Ricin

Link: https://3d.nih.gov/entries/3DPX-003159

Description: Surface and ribbon models of Ricin, a poison that can disables ribosomes and causes death.

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232. Adenosine

Link: https://3d.nih.gov/entries/3DPX-003162

Description: Adenosine is a ribonucleoside composed of a molecule of adenine attached to a ribofuranose moiety via a beta-N(9)-glycosidic bond. It has a role as an anti-arrhythmia drug, a vasodilator agent, an ...

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233. Nicotine

Link: https://3d.nih.gov/entries/3DPX-003163

Description: (S)-nicotine is a 3-(1-methylpyrrolidin-2-yl)pyridine in which the chiral centre has S-configuration. The naturally occurring and most active enantiomer of nicotine, isolated from Nicotiana tabacum...

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234. Naphtho[1,2,3,4-ghi]perylene

Link: https://3d.nih.gov/entries/3DPX-003168

Description: No description available

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235. Acetil CoA

Link: https://3d.nih.gov/entries/3DPX-003176

Description: No description available

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236. CID 169715

Link: https://3d.nih.gov/entries/3DPX-003179

Description: No description available

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237. Isocitric acid

Link: https://3d.nih.gov/entries/3DPX-003186

Description: Isocitric acid is a tricarboxylic acid that is propan-1-ol with a hydrogen at each of the 3 carbon positions replaced by a carboxy group. It has a role as a fundamental metabolite. It is a tricarbo...

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238. 2-Oxoglutaric acid

Link: https://3d.nih.gov/entries/3DPX-003187

Description: 2-oxoglutaric acid is an oxo dicarboxylic acid that consists of glutaric acid bearing an oxo substituent at position 2. It is an intermediate metabolite in Krebs cycle. It has a role as a fundament...

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239. Succinic Acid

Link: https://3d.nih.gov/entries/3DPX-003188

Description: Succinic acid is an alpha,omega-dicarboxylic acid resulting from the formal oxidation of each of the terminal methyl groups of butane to the corresponding carboxy group. It is an intermediate metab...

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240. Monomethyl fumarate

Link: https://3d.nih.gov/entries/3DPX-003189

Description: Monomethyl fumarate is a dicarboxylic acid monoester resulting from the formal condensation of one of the carboxy groups of fumaric acid with methanol. Is is a metabolite of dimethyl fumarate and u...

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241. Malic acid

Link: https://3d.nih.gov/entries/3DPX-003190

Description: Malic acid is a 2-hydroxydicarboxylic acid that is succinic acid in which one of the hydrogens attached to a carbon is replaced by a hydroxy group. It has a role as a food acidity regulator and a f...

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242. Oxaloacetate Ion

Link: https://3d.nih.gov/entries/3DPX-003191

Description: No description available

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243. DL-Tyrosine

Link: https://3d.nih.gov/entries/3DPX-003193

Description: Tyrosine is an alpha-amino acid that is phenylalanine bearing a hydroxy substituent at position 4 on the phenyl ring. It has a role as a Daphnia magna metabolite. It is an alpha-amino acid, a polar...

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244. D-Sorbitol

Link: https://3d.nih.gov/entries/3DPX-003194

Description: A polyhydric alcohol with about half the sweetness of sucrose. Sorbitol occurs naturally and is also produced synthetically from glucose. It was formerly used as a diuretic and may still be used as...

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245. Acetic Acid

Link: https://3d.nih.gov/entries/3DPX-003197

Description: Acetic acid is a simple monocarboxylic acid containing two carbons. It has a role as a protic solvent, a food acidity regulator, an antimicrobial food preservative and a Daphnia magna metabolite. I...

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246. [5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dimethylamino hydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-003198

Description: No description available

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247. Oseltamivir

Link: https://3d.nih.gov/entries/3DPX-003203

Description: Oseltamivir is a cyclohexenecarboxylate ester that is the ethyl ester of oseltamivir acid. An antiviral prodrug (it is hydrolysed to the active free carboxylic acid in the liver), it is used to slo...

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248. Mauveine A

Link: https://3d.nih.gov/entries/3DPX-003207

Description: No description available

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249. Levamfetamine

Link: https://3d.nih.gov/entries/3DPX-003208

Description: (R)-amphetamine is a 1-phenylpropan-2-amine that has R configuration. It is an enantiomer of a (S)-amphetamine.

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250. Oxycodone

Link: https://3d.nih.gov/entries/3DPX-003209

Description: Oxycodone is a semisynthetic opioid of formula C18H21NO4 that is derived from thebaine. It is a moderately potent opioid analgesic, generally used for relief of moderate to severe pain. It has a ro...

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251. Alprazolam

Link: https://3d.nih.gov/entries/3DPX-003210

Description: Alprazolam is a member of the class of triazolobenzodiazepines that is 4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine carrying methyl, phenyl and chloro substituents at positions 1, 6 and 8 respectiv...

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252. Duloxetine

Link: https://3d.nih.gov/entries/3DPX-003211

Description: (S)-duloxetine is a duloxetine. It is an enantiomer of a (R)-duloxetine.

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253. Proanthocyanidin A2

Link: https://3d.nih.gov/entries/3DPX-003219

Description: No description available

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254. Vitamina C

Link: https://3d.nih.gov/entries/3DPX-003220

Description: No description available

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255. Phenylbutazone

Link: https://3d.nih.gov/entries/3DPX-003221

Description: Phenylbutazone is a member of the class of pyrazolidines that is 1,2-diphenylpyrazolidine-3,5-dione carrying a butyl group at the 4-position. It has a role as a non-narcotic analgesic, a non-steroi...

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256. (2S)-1-(4-ethylpiperazin-1-yl)-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]propan-1-one

Link: https://3d.nih.gov/entries/3DPX-003231

Description: No description available

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257. N-Acetyl-5-hydroxytryptamine

Link: https://3d.nih.gov/entries/3DPX-003232

Description: N-acetylserotonin is an N-acylserotonin resulting from the formal condensation of the primary amino group of serotonin with the carboxy group of acetic acid. It has a role as a human metabolite, a ...

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258. NADP nicotinamide-adenine-dinucleotide phosphate

Link: https://3d.nih.gov/entries/3DPX-003233

Description: NADP(+) is a NAD(P)(+) and a NADP. It has a role as a fundamental metabolite and a cofactor. It is a conjugate acid of a NADP zwitterion and a NADP(3-).

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259. CID 128973

Link: https://3d.nih.gov/entries/3DPX-003234

Description: No description available

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260. CID 6830

Link: https://3d.nih.gov/entries/3DPX-003235

Description: Guanosine 5'-(tetrahydrogen triphosphate). A guanine nucleotide containing three phosphate groups esterified to the sugar moiety. [PubChem]

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261. 5-Hydroxytryptophan

Link: https://3d.nih.gov/entries/3DPX-003236

Description: 5-hydroxytryptophan is a tryptophan derivative that is tryptophan substituted by a hydroxy group at position 5. It has a role as a human metabolite and a neurotransmitter.

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262. CID 121885

Link: https://3d.nih.gov/entries/3DPX-003237

Description: No description available

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263. CID 1125

Link: https://3d.nih.gov/entries/3DPX-003238

Description: Tetrahydrobiopterin or BH4 is a cofactor in the synthesis of nitric oxide. It is also essential in the conversion of phenylalanine to tyrosine by the enzyme phenylalanine-4-hydroxylase; the convers...

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264. Benzaldehyde

Link: https://3d.nih.gov/entries/3DPX-003240

Description: Benzaldehyde is an arenecarbaldehyde that consists of benzene bearing a single formyl substituent; the simplest aromatic aldehyde and parent of the class of benzaldehydes. It has a role as a flavou...

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265. Artemisinin

Link: https://3d.nih.gov/entries/3DPX-003247

Description: (+)-artemisinin is a sesquiterpene lactone obtained from sweet wormwood, Artemisia annua, which is used as an antimalarial for the treatment of multi-drug resistant strains of falciparum malaria. I...

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266. Nylon 6,6

Link: https://3d.nih.gov/entries/3DPX-003256

Description: No description available

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267. Psilocybine

Link: https://3d.nih.gov/entries/3DPX-003258

Description: Psilocybin is a tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional phosphoryloxy substituent at position 4. The major hallucinogenic alkaloid isolated from Psilocybe mushroom...

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268. D-Ribose

Link: https://3d.nih.gov/entries/3DPX-003259

Description: D-ribopyranose is a D-ribose and the D-enantiomer of ribopyranose. It is a ribopyranose and a D-ribose. It is an enantiomer of a L-ribopyranose.

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269. Linezolid

Link: https://3d.nih.gov/entries/3DPX-003260

Description: Linezolid is an organofluorine compound that consists of 1,3-oxazolidin-2-one bearing an N-3-fluoro-4-(morpholin-4-yl)phenyl group as well as an acetamidomethyl group at position 5. A synthetic ant...

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270. CID 24316

Link: https://3d.nih.gov/entries/3DPX-003261

Description: A guanine nucleotide containing one phosphate group which is esterified to the sugar moiety in both the 3'- and 5'-positions. It is a cellular regulatory agent and has been described as a s...

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271. 3-(1-Nitrosopyrrolidin-2-yl)pyridine

Link: https://3d.nih.gov/entries/3DPX-003262

Description: N'-Nitrosonornicotine is a member of pyrrolidines and a member of pyridines.

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272. N-Nitrosodimethylamine

Link: https://3d.nih.gov/entries/3DPX-003263

Description: N-nitrosodimethylamine is a nitrosamine. It has a role as a geroprotector and a mutagen.

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273. Juglone

Link: https://3d.nih.gov/entries/3DPX-003264

Description: Juglone is a hydroxy-1,4-naphthoquinone that is 1,4-naphthoquinone in which the hydrogen at position 5 has been replaced by a hydroxy group. A plant-derived 1,4-naphthoquinone with confirmed antiba...

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274. 3,4-Bis(4-acetoxyphenyl)-2,4-hexadiene

Link: https://3d.nih.gov/entries/3DPX-003268

Description: No description available

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275. Rapamycin

Link: https://3d.nih.gov/entries/3DPX-003269

Description: No description available

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276. Bortezomib

Link: https://3d.nih.gov/entries/3DPX-003270

Description: No description available

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277. delta(9)-Tetrahydrocannabinolic acid

Link: https://3d.nih.gov/entries/3DPX-003271

Description: Delta(9)-tetrahydrocannabinolic acid is a diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at po...

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278. Phenylthiourea

Link: https://3d.nih.gov/entries/3DPX-003277

Description: N-phenylthiourea is a member of the class of thioureas that is thiourea in which one of the hydrogens is replaced by a phenyl group. Depending on their genetic makeup, humans find it either very bi...

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279. (-)-Epicatechin

Link: https://3d.nih.gov/entries/3DPX-003278

Description: (-)-epicatechin is a catechin with (2R,3R)-configuration. It has a role as an antioxidant. It is a polyphenol and a catechin. It is an enantiomer of a (+)-epicatechin.

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280. Naringin

Link: https://3d.nih.gov/entries/3DPX-003279

Description: Naringin is a disaccharide derivative that is (S)-naringenin substituted by a 2-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as a m...

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281. Vanillin

Link: https://3d.nih.gov/entries/3DPX-003280

Description: Vanillin is a member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively. It has a role as a plant metabolite, an anti-inflammatory agent, a fl...

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282. Salicin

Link: https://3d.nih.gov/entries/3DPX-003286

Description: Salicin is an aryl beta-D-glucoside that is salicyl alcohol in which the phenolic hydrogen has been replaced by a beta-D-glucosyl residue. It has a role as a prodrug, an antipyretic, a non-narcotic...

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283. Allantoin

Link: https://3d.nih.gov/entries/3DPX-003291

Description: Allantoin is an imidazolidine-2,4-dione that is 5-aminohydantoin in which a carbamoyl group is attached to the exocyclic nitrogen. It has a role as a vulnerary, a human metabolite, a Saccharomyces ...

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284. DL-Dopa-(phenyl-d3), 98 atom % D, 97% (CP)

Link: https://3d.nih.gov/entries/3DPX-003292

Description: No description available

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285. (2S,5R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Link: https://3d.nih.gov/entries/3DPX-003293

Description: No description available

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286. 2-Hydroxy-1,4-naphthoquinone

Link: https://3d.nih.gov/entries/3DPX-003294

Description: Lawsone is 1,4-Naphthoquinone carrying a hydroxy function at C-2. It is obtained from the leaves of Lawsonia inermis. It has a role as a protective agent and an antifungal agent. It is a tautomer o...

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287. Oxalic Acid

Link: https://3d.nih.gov/entries/3DPX-003295

Description: Oxalic acid is an alpha,omega-dicarboxylic acid that is ethane substituted by carboxyl groups at positions 1 and 2. It has a role as a human metabolite, a plant metabolite and an algal metabolite. ...

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288. Silibinin B

Link: https://3d.nih.gov/entries/3DPX-003296

Description: A mixture of flavonoids extracted from seeds of the MILK THISTLE, Silybum marianum. It consists primarily of silybin and its isomers, silicristin and silidianin. Silymarin displays antioxidant and ...

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289. Sanguinarine

Link: https://3d.nih.gov/entries/3DPX-003297

Description: Sanguinarine is a benzophenanthridine alkaloid, an alkaloid antibiotic and a botanical anti-fungal agent.

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290. Sesquiterpene lactone LS-1

Link: https://3d.nih.gov/entries/3DPX-003298

Description: No description available

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291. Sulfate

Link: https://3d.nih.gov/entries/3DPX-003303

Description: Sulfate is a sulfur oxoanion obtained by deprotonation of both OH groups of sulfuric acid. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a cofactor. It is a sulfur ...

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292. 2',5-Digalloylhamamelofuranose

Link: https://3d.nih.gov/entries/3DPX-003307

Description: No description available

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293. Benzoate

Link: https://3d.nih.gov/entries/3DPX-003308

Description: Benzoate is the simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. It has a role as a...

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294. Deferiprone

Link: https://3d.nih.gov/entries/3DPX-003310

Description: Deferiprone is a member of the class of 4-pyridones that is pyridin-4(1H)-one substituted at positions 1 and 2 by methyl groups and at position 3 by a hydroxy group. A lipid-soluble iron-chelator u...

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295. Thymol

Link: https://3d.nih.gov/entries/3DPX-003311

Description: Thymol is a phenol that is a natural monoterpene derivative of cymene. It has a role as a volatile oil component. It is a member of phenols and a monoterpenoid. It derives from a hydride of a p-cym...

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296. 3-Pinanone

Link: https://3d.nih.gov/entries/3DPX-003312

Description: 3-Pinanone is a monoterpenoid.

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297. Carnosol

Link: https://3d.nih.gov/entries/3DPX-003313

Description: Carnosol is a diterpenoid.

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298. 1LEJ-linear-no-H

Link: https://3d.nih.gov/entries/3DPX-003322

Description: No description available

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299. Benzene

Link: https://3d.nih.gov/entries/3DPX-003334

Description: Benzene is a six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is...

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300. 2H-Benzo(cd)pyrene

Link: https://3d.nih.gov/entries/3DPX-003335

Description: No description available

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301. Cromolyn

Link: https://3d.nih.gov/entries/3DPX-003338

Description: Cromoglycic acid is a dicarboxylic acid that is the bis-chromone derivative of glycerol. It is effective as a mast cell stabilizer. It has a role as a calcium channel blocker and an anti-asthmatic ...

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302. CatB_pro_small

Link: https://3d.nih.gov/entries/3DPX-003630

Description: No description available

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303. Carbon Nanotube_20,3

Link: https://3d.nih.gov/entries/3DPX-003633

Description: Carbon Nanotube, 20 rings in length, 3 rings in circumference

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304. Carbon Nanotube_100,3

Link: https://3d.nih.gov/entries/3DPX-003634

Description: Carbon Nanotube, 100 rings in length, 3 rings in circumference

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305. ZnTp*AHA

Link: https://3d.nih.gov/entries/3DPX-003635

Description: No description available

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306. Carbon Nanotube_15,8

Link: https://3d.nih.gov/entries/3DPX-003636

Description: Carbon Nanotube, 15 rings in length, 8 rings in circumference

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307. Buprenorphine

Link: https://3d.nih.gov/entries/3DPX-003645

Description: Buprenorphine is a morphinane alkaloid that is 7,8-dihydromorphine 6-O-methyl ether in which positions 6 and 14 are joined by a -CH2CH2- bridge, one of the hydrogens of the N-methyl group is substi...

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308. test

Link: https://3d.nih.gov/entries/3DPX-003650

Description: No description available

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309. test

Link: https://3d.nih.gov/entries/3DPX-003666

Description: No description available

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310. graphene

Link: https://3d.nih.gov/entries/3DPX-003667

Description: No description available

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311. RG-NA01

Link: https://3d.nih.gov/entries/3DPX-003669

Description: CID#: 20865075

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312. N-(3,4-dimethylphenyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide

Link: https://3d.nih.gov/entries/3DPX-003670

Description: No description available

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313. 1-[(4-methylphenyl)sulfonyl]-4-[(3-methyl-1H-pyrazol-5-yl)carbonyl]piperazine

Link: https://3d.nih.gov/entries/3DPX-003671

Description: No description available

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314. 1-[(4-tert-butylphenyl)sulfonyl]-4-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]piperazine

Link: https://3d.nih.gov/entries/3DPX-003672

Description: No description available

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315. Carbon Monoxide

Link: https://3d.nih.gov/entries/3DPX-003675

Description: Carbon monoxide is a one-carbon compound in which the carbon is joined only to a single oxygen. It is a colourless, odourless, tasteless, toxic gas. It has a role as a neurotoxin, a signalling mole...

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316. cis-(+)-Disparlure

Link: https://3d.nih.gov/entries/3DPX-003679

Description: 2-methyl-7R,8S-Epoxy-octadecane is an epoxide.

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317. Catechol

Link: https://3d.nih.gov/entries/3DPX-003681

Description: Catechol is a benzenediol comprising of a benzene core carrying two hydroxy substituents ortho to each other. It has a role as a genotoxin, an allelochemical and a plant metabolite. It is a conjuga...

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318. cis,cis-Muconic acid

Link: https://3d.nih.gov/entries/3DPX-003683

Description: Cis,cis-muconic acid is the cis,cis-isomer of muconic acid. It is produced during the degradation of chlorobenzene by bacteria like Bacillus. It has a role as a bacterial xenobiotic metabolite. It ...

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319. Aurodixenictetrakryptic permanganate dioxalate

Link: https://3d.nih.gov/entries/3DPX-003691

Description: No description available

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320. Fe36 Iron pyridylphosphonate cluster

Link: https://3d.nih.gov/entries/3DPX-003694

Description: An Unprecedented Fe36 Phosphonate Cage Christine M. Beavers, Andrey V. Prosverin, John D. Cashion, Kim R. Dunbar and collaborators.

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321. Phenolphthalein

Link: https://3d.nih.gov/entries/3DPX-003696

Description: Phenolphthalein is a member of phenols. It is functionally related to a 2-benzofuran-1(3H)-one.

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322. 20-Hydroxyecdysone

Link: https://3d.nih.gov/entries/3DPX-003697

Description: 20-hydroxyecdysone is an ecdysteroid that is ecdysone substituted by a hydroxy group at position 20. It has a role as a plant metabolite and an animal metabolite. It is a 20-hydroxy steroid, an ecd...

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323. 6-(Bromomethyl)quinoline

Link: https://3d.nih.gov/entries/3DPX-003704

Description: No description available

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324. 2-Methoxy-N-(2-(3-quinuclidinyl)ethyl)-5-sulfamoylbenzamide

Link: https://3d.nih.gov/entries/3DPX-003705

Description: No description available

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325. Rapastinel

Link: https://3d.nih.gov/entries/3DPX-003708

Description: No description available

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326. Tetrachloroethylene

Link: https://3d.nih.gov/entries/3DPX-003711

Description: Tetrachloroethene is a chlorocarbon that is tetrachloro substituted ethene. It has a role as a nephrotoxic agent. It is a chlorocarbon and a member of chloroethenes.

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327. Trichloroethylene

Link: https://3d.nih.gov/entries/3DPX-003712

Description: Trichloroethene is a member of the class of chloroethenes that is ethene substituted by chloro groups at positions 1, 1 and 2. It has a role as an inhalation anaesthetic and a mouse metabolite.

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328. 2,2',3,3',4-pentachlorobiphenyl

Link: https://3d.nih.gov/entries/3DPX-003713

Description: Polychlorinated biphenyls are mixtures of up to 209 individual chlorinated compounds (known as congeners). There are no known natural sources of PCBs. PCBs are either oily liquids or solids that ar...

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329. Vanillic acid

Link: https://3d.nih.gov/entries/3DPX-003718

Description: Vanillic acid is a monohydroxybenzoic acid that is 4-hydroxybenzoic acid substituted by a methoxy group at position 3. It has a role as a plant metabolite. It is a monohydroxybenzoic acid and a met...

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330. Asiatic acid

Link: https://3d.nih.gov/entries/3DPX-003719

Description: Asiatic acid is a pentacyclic triterpenoid that is ursane substituted by a carboxy group at position 28 and hydroxy groups at positions 2, 3 and 23 (the 2alpha,3beta stereoisomer). It is isolated f...

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331. N-(2-Iodophenyl)-4-methyl-N-propadienylbenzenesulfonamide

Link: https://3d.nih.gov/entries/3DPX-003727

Description: SMILES: Cc1ccc(cc1)S(=O)(=O)N(C=C=C)c2ccccc2I

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332. Mescaline

Link: https://3d.nih.gov/entries/3DPX-003734

Description: Mescaline is a phenethylamine alkaloid that is phenethylamine substituted at positions 3, 4 and 5 by methoxy groups. It has a role as a hallucinogen. It is a phenethylamine alkaloid, a member of me...

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333. Harmine

Link: https://3d.nih.gov/entries/3DPX-003735

Description: Harmine is a harmala alkaloid in which the harman skeleton is methoxy-substituted at C-7. It has a role as a metabolite, an anti-HIV agent and an EC 1.4.3.4 (monoamine oxidase) inhibitor. It derive...

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334. Aldrin

Link: https://3d.nih.gov/entries/3DPX-003744

Description: Aldrin is an organochlorine compound resulting from the Diels-Alder reaction of hexachlorocyclopentadiene with norbornadiene. A proinsecticide (by epoxidation of the non-chlorinated double bond to ...

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335. 7-Desamine-7-hydroxy triamterene

Link: https://3d.nih.gov/entries/3DPX-003745

Description: No description available

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336. CID 52822105

Link: https://3d.nih.gov/entries/3DPX-003746

Description: No description available

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337. Dopamine glucuronide

Link: https://3d.nih.gov/entries/3DPX-003747

Description: Dopamine glucuronide is a glucosiduronic acid.

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338. test

Link: https://3d.nih.gov/entries/3DPX-003755

Description: No description available

---

339. test2

Link: https://3d.nih.gov/entries/3DPX-003756

Description: No description available

---

340. Benzene

Link: https://3d.nih.gov/entries/3DPX-003757

Description: No description available

---

341. cAMP

Link: https://3d.nih.gov/entries/3DPX-003763

Description: Cyclic adenosine monophosphate (cAMP, cyclic AMP or 3'-5'-cyclic adenosine monophosphate) is a molecule that is important in many biological processes; it is derived from adenosine triphosphate (ATP).

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342. (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal

Link: https://3d.nih.gov/entries/3DPX-003764

Description: Aldehydo-D-glucose is the open chain form of D-glucose. It is a D-glucose and an aldehydo-glucose. It is an enantiomer of an aldehydo-L-glucose.

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343. Parathion

Link: https://3d.nih.gov/entries/3DPX-003767

Description: Parathion is an organic thiophosphate, a C-nitro compound and an organothiophosphate insecticide. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, an EC 3.1.1.8 (cholinesterase) inh...

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344. Sarin

Link: https://3d.nih.gov/entries/3DPX-003768

Description: Isopropyl methylphosphonofluoridate is a phosphinic ester that is the isopropyl ester of methylphosphonofluoridic acid. It is a phosphinic ester and a fluorine molecular entity.

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345. O-Ethyl S-(2-diisopropylaminoethyl) methylphosphonothioate

Link: https://3d.nih.gov/entries/3DPX-003769

Description: VX nerve agent is a organic thiophosphate that is the ethyl ester of S-{2-[di(propan-2-yl)amino]ethyl} O hydrogen methylphosphonothioate. A toxic nerve agent used in chemical warfare. It has a role...

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346. Triphenyl phosphate

Link: https://3d.nih.gov/entries/3DPX-003770

Description: Triphenyl phosphate is an aryl phosphate resulting from the formal condensation of phosphoric acid with 3 mol eq. of phenol. It has a role as a flame retardant and a plasticiser. It is functionally...

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347. Acetylcholine

Link: https://3d.nih.gov/entries/3DPX-003771

Description: Acetylcholine is actylcholine is an ester of acetic acid and choline, which acts as a neurotransmitter. It has a role as a vasodilator agent, a muscarinic agonist, a hormone, a human metabolite, a ...

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348. Paraoxon

Link: https://3d.nih.gov/entries/3DPX-003772

Description: Paraoxon is an aryl dialkyl phosphate where both the alkyl groups are ethyl and the aryl group is 4-nitrophenyl. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor and a mouse metaboli...

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349. Butanoic acid, 4-[[6-amino-1-(2-mercaptoethyl)-6-oxohexyl]thio]-4-oxo-

Link: https://3d.nih.gov/entries/3DPX-003779

Description: No description available

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350. Diglycidyl resorcinol ether

Link: https://3d.nih.gov/entries/3DPX-003780

Description: Diglycidyl resorcinol ether is an aromatic ether.

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351. 1-(3,7-dimethylocta-2,6-dienyl)-3-methyl-9H-carbazol-2-ol

Link: https://3d.nih.gov/entries/3DPX-003781

Description: No description available

---

352. D-Aspartic acid

Link: https://3d.nih.gov/entries/3DPX-003782

Description: D-aspartic acid is the D-enantiomer of aspartic acid. It has a role as a mouse metabolite. It is an aspartic acid and a D-alpha-amino acid. It is a conjugate acid of a D-aspartate(1-). It is an ena...

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353. Altretamine

Link: https://3d.nih.gov/entries/3DPX-003785

Description: Hexamethylmelamine is a triamino-1,3,5-triazine.

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354. 2-Amino-1,3-propanediol

Link: https://3d.nih.gov/entries/3DPX-003786

Description: No description available

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355. Moclobemide

Link: https://3d.nih.gov/entries/3DPX-003787

Description: Moclobemide is a member of the class of benzamides that is benzamide substituted by a chloro group at position 4 and a 2-(morpholin-4-yl)ethyl group at the nitrogen atom. It acts as a reversible mo...

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356. 1-(2-cyclohexyl-1-adamantyl)-N-methylpropan-2-amine

Link: https://3d.nih.gov/entries/3DPX-003791

Description: No description available

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357. 4-[(3,4-Dichlorophenyl)methyl]-6,7-dimethoxyisoquinoline

Link: https://3d.nih.gov/entries/3DPX-003798

Description: No description available

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358. Naloxone

Link: https://3d.nih.gov/entries/3DPX-003799

Description: No description available

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359. diazepam thin

Link: https://3d.nih.gov/entries/3DPX-003800

Description: No description available

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360. Cyclohexanone, 2-amino-2-(2-chlorophenyl)-6-hydroxy-

Link: https://3d.nih.gov/entries/3DPX-003809

Description: No description available

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361. Estradiol

Link: https://3d.nih.gov/entries/3DPX-003813

Description: Generally refers to the 17-beta-isomer of estradiol, an aromatized C18 steroid with hydroxyl group at 3-beta- and 17-beta-position. Estradiol-17-beta is the most potent form of mammalian estrogenic...

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362. testosterone

Link: https://3d.nih.gov/entries/3DPX-003814

Description: Testosterone is a steroid sex hormone found in both men and women. In men, testosterone is produced primarily by the Leydig (interstitial) cells of the testes when stimulated by luteinizing hormone...

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363. Testosterone propionate

Link: https://3d.nih.gov/entries/3DPX-003815

Description: Testosterone propionate is a steroid ester.

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364. Androstanolone

Link: https://3d.nih.gov/entries/3DPX-003816

Description: 17beta-hydroxy-5alpha-androstan-3-one is a 17beta-hydroxy steroid that is testosterone in which the 4,5 double bond has been reduced to a single bond with alpha-configuration at position 5. It has ...

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365. Ethinyl estradiol

Link: https://3d.nih.gov/entries/3DPX-003817

Description: 17alpha-ethynylestradiol is a 3-hydroxy steroid that is estradiol substituted by a ethynyl group at position 17. It is a xenoestrogen synthesized from estradiol and has been shown to exhibit high e...

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366. Estradiol cypionate

Link: https://3d.nih.gov/entries/3DPX-003818

Description: Estradiol 17beta-cyclopentylpropionate is a steroid ester.

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367. Progesterone

Link: https://3d.nih.gov/entries/3DPX-003819

Description: Progesterone is a C21-steroid hormone in which a pregnane skeleton carries oxo substituents at positions 3 and 20 and is unsaturated at C(4)-C(5). As a hormone, it is involved in the female menstru...

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368. Aniline

Link: https://3d.nih.gov/entries/3DPX-003823

Description: Aniline is a primary arylamine in which an amino functional group is substituted for one of the benzene hydrogens. It is a primary arylamine and a member of anilines.

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369. Dodecyltrimethylammonium

Link: https://3d.nih.gov/entries/3DPX-003825

Description: Dodecyltrimethylammonium ion is a quarternary ammonium cation having one dodecyl and three methyl substituents around the central nitrogen.

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370. Ethyl 2-cyanoacrylate

Link: https://3d.nih.gov/entries/3DPX-003826

Description: No description available

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371. Silicon Dioxide

Link: https://3d.nih.gov/entries/3DPX-003827

Description: Silicon dioxide is a silicon oxide made up of linear triatomic molecules in which a silicon atom is covalently bonded to two oxygens.

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372. ethyl (3R)-1-formylpiperidine-3-carboxylate

Link: https://3d.nih.gov/entries/3DPX-003829

Description: No description available

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373. 2'-Aminoacetophenone

Link: https://3d.nih.gov/entries/3DPX-003830

Description: O-aminoacetophenone is an aromatic ketone that is acetophenone in which one of the ortho hydrogens of the phenyl group has been replaced by an amino group. It has a role as a bacterial metabolite. ...

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374. Fullerene

Link: https://3d.nih.gov/entries/3DPX-003839

Description: No description available

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375. Testosterone cypionate

Link: https://3d.nih.gov/entries/3DPX-003845

Description: Testosterone cypionate is a sterol ester. It is functionally related to a 3-cyclopentylpropionic acid and a testosterone.

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376. Thromboxane

Link: https://3d.nih.gov/entries/3DPX-003877

Description: No description available

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377. thromboxane A2

Link: https://3d.nih.gov/entries/3DPX-003878

Description: Thromboxane A2 is a thromboxane which is produced by activated platelets and has prothrombotic properties: it stimulates activation of new platelets as well as increases platelet aggregation. It ha...

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378. 1,7-Naphthyridine

Link: https://3d.nih.gov/entries/3DPX-003881

Description: 1,7-naphthyridine is a naphthyridine.

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379. (2R,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Link: https://3d.nih.gov/entries/3DPX-003882

Description: Beta-D-glucose is d-Glucopyranose with beta configuration at the anomeric centre. It has a role as an epitope and a mouse metabolite. It is an enantiomer of a beta-L-glucose.

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380. Hexose

Link: https://3d.nih.gov/entries/3DPX-003883

Description: Hexopyranose is a hexose.

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381. D-(-)-Fructose

Link: https://3d.nih.gov/entries/3DPX-003884

Description: Keto-D-fructose is the open-chain form of D-fructose. It is a keto-fructose and a D-fructose. It is an enantiomer of a keto-L-fructose.

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382. beta-D-fructofuranose

Link: https://3d.nih.gov/entries/3DPX-003885

Description: Beta-D-fructofuranose is a D-fructofuranose. It has a role as a mouse metabolite. It is an enantiomer of a beta-L-fructofuranose.

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383. alpha-D-fructofuranose

Link: https://3d.nih.gov/entries/3DPX-003886

Description: Alpha-D-fructofuranose is a D-fructofuranose. It is an enantiomer of an alpha-L-fructofuranose.

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384. Morphine

Link: https://3d.nih.gov/entries/3DPX-003887

Description: Morphine is a morphinane alkaloid that is a highly potent opiate analgesic psychoactive drug. Morphine acts directly on the central nervous system (CNS) to relieve pain but has a high potential for...

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385. T3 3,5,3'TRIIODOTHYRONINE

Link: https://3d.nih.gov/entries/3DPX-003914

Description: No description available

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386. Phthalate

Link: https://3d.nih.gov/entries/3DPX-003915

Description: No description available

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387. 5436-43-1; 4,4'-Oxybis(1,3-dibromobenzene); PBDE 47; DIBROMOPHENYL ETHER; 2,2',4,4'-Tetrabromodiphenyl ether; BDE-47

Link: https://3d.nih.gov/entries/3DPX-003916

Description: No description available

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388. 1,2-Bis(2-chloroethoxy)ethane

Link: https://3d.nih.gov/entries/3DPX-003918

Description: No description available

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389. Butrol

Link: https://3d.nih.gov/entries/3DPX-003921

Description: No description available

---

390. Test case

Link: https://3d.nih.gov/entries/3DPX-003922

Description: No description available

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391. Paroxetine

Link: https://3d.nih.gov/entries/3DPX-003924

Description: Paroxetine is a benzodioxole that consists of piperidine bearing 1,3-benzodioxol-5-yloxy)methyl and 4-fluorophenyl substituents at positions 3 and 4 respectively; the (3S,4R)-diastereomer. Highly p...

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392. capsydine

Link: https://3d.nih.gov/entries/3DPX-003926

Description: No description available

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393. Methyl dihydrojasmonate

Link: https://3d.nih.gov/entries/3DPX-003927

Description: No description available

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394. Oxacyclohexadec-12-en-2-one, (12E)-

Link: https://3d.nih.gov/entries/3DPX-003928

Description: No description available

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395. emtricitabine

Link: https://3d.nih.gov/entries/3DPX-003932

Description: No description available

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396. tenofovir

Link: https://3d.nih.gov/entries/3DPX-003933

Description: No description available

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397. Betaxolol

Link: https://3d.nih.gov/entries/3DPX-003934

Description: Betaxolol is a propanolamine that is 3-aminopropane-1,2-diol in which the hydrogen of the primary hydoxy is substituted by a 4-[2-(cyclopropylmethoxy)ethyl]phenyl group and one of the hydrogens att...

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398. test

Link: https://3d.nih.gov/entries/3DPX-003935

Description: No description available

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399. Phorone

Link: https://3d.nih.gov/entries/3DPX-003938

Description: No description available

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400. Ambrox

Link: https://3d.nih.gov/entries/3DPX-003941

Description: Ambronide is a naphthofuran.

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401. Indinavir

Link: https://3d.nih.gov/entries/3DPX-003943

Description: Indinavir is a N-(2-hydroxyethyl)piperazine, a piperazinecarboxamide and a dicarboxylic acid diamide. It has a role as a HIV protease inhibitor.

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402. 2-[1-(3,3-Dimethyl-cyclohexyl)-ethoxy]-2-methyl-propan-1-ol

Link: https://3d.nih.gov/entries/3DPX-003945

Description: No description available

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403. Olivine like 300

Link: https://3d.nih.gov/entries/3DPX-003951

Description: No description available

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404. Oxytocin

Link: https://3d.nih.gov/entries/3DPX-003956

Description: *.mo; file from Chemspider

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405. Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

Link: https://3d.nih.gov/entries/3DPX-003958

Description: No description available

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406. Benzoyl chloride

Link: https://3d.nih.gov/entries/3DPX-003959

Description: Benzoyl chloride is an acyl chloride consisting of benzene in which a hydrogen is replaced by an acyl chloride group. It is an important chemical intermediate for the manufacture of other chemicals...

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407. TBHQ

Link: https://3d.nih.gov/entries/3DPX-003970

Description: No description available

---

408. Imatanib Derivative

Link: https://3d.nih.gov/entries/3DPX-003984

Description: No description available

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409. Amphetamine Derivative 5

Link: https://3d.nih.gov/entries/3DPX-003985

Description: No description available

---

410. Chemistry 53

Link: https://3d.nih.gov/entries/3DPX-003994

Description: No description available

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411. Indole-3-acetate

Link: https://3d.nih.gov/entries/3DPX-004022

Description: Indole-3-acetate is an indol-3-yl carboxylic acid anion that is the conjugate base of indole-3-acetic acid. It has a role as a human metabolite, a plant metabolite and a Saccharomyces cerevisiae me...

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412. Water

Link: https://3d.nih.gov/entries/3DPX-004023

Description: No description available

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413. D-Aldose

Link: https://3d.nih.gov/entries/3DPX-004024

Description: No description available

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414. phenol

Link: https://3d.nih.gov/entries/3DPX-004035

Description: Phenol is an antiseptic and disinfectant. It is active against a wide range of micro-organisms including some fungi and viruses, but is only slowly effective against spores. Phenol has been used to...

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415. carbonic acid, 2 methoxy, 4 methylphenyl methyl ester

Link: https://3d.nih.gov/entries/3DPX-004039

Description: No description available

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416. 3-D Printable Atomic Microstructures

Link: https://3d.nih.gov/entries/3DPX-004100

Description: This page has three examples of microstuctures that can be 3D printed. The different microstructures are simple cubic, body-centered cubic, and face-centered cubic. The OpenSCAD files as well as th...

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417. Memantine

Link: https://3d.nih.gov/entries/3DPX-004101

Description: Memantine is a primary aliphatic amine that is the 3,5-dimethyl derivative of 1-aminoadamantane. A low to moderate affinity uncompetitive (open-channel); NMDA receptor antagonist which binds prefer...

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418. Memantinium(1+)

Link: https://3d.nih.gov/entries/3DPX-004102

Description: Memantinium(1+) is an organic cation that is the conjugate acid of memantine obtained by protonation of the primary amino function. It is an ammonium ion derivative and an organic cation. It is a c...

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419. earthy piney

Link: https://3d.nih.gov/entries/3DPX-004107

Description: No description available

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420. 11-cis-Retinal

Link: https://3d.nih.gov/entries/3DPX-004108

Description: A carotenoid constituent of visual pigments. It is the oxidized form of retinol which functions as the active component of the visual cycle. It is bound to the protein opsin forming the complex rho...

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421. Retinal

Link: https://3d.nih.gov/entries/3DPX-004109

Description: All-trans-retinal is a retinal in which all four exocyclic double bonds have E- (trans-) geometry. It has a role as a gap junctional intercellular communication inhibitor, a human metabolite and a ...

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422. Norfenefrine

Link: https://3d.nih.gov/entries/3DPX-004114

Description: Norfenefrine is a member of phenols.

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423. AsI5

Link: https://3d.nih.gov/entries/3DPX-004116

Description: Used for AP Chem project.

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424. trophy

Link: https://3d.nih.gov/entries/3DPX-004133

Description: No description available

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425. bax sticks and helix

Link: https://3d.nih.gov/entries/3DPX-004134

Description: No description available

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426. 5'-DMT-Bz-rA

Link: https://3d.nih.gov/entries/3DPX-004138

Description: No description available

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427. D.-glucosa

Link: https://3d.nih.gov/entries/3DPX-004141

Description: No description available

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428. Astaxanthin

Link: https://3d.nih.gov/entries/3DPX-004146

Description: No description available

---

429. Docosahexaenoic Acid

Link: https://3d.nih.gov/entries/3DPX-004147

Description: No description available

---

430. Imatinib

Link: https://3d.nih.gov/entries/3DPX-004155

Description: Imatinib is a benzamide obtained by formal condensation of the carboxy group of 4-[(4-methylpiperazin-1-yl)methyl]benzoic acid with the primary aromatic amino group of 4-methyl-N(3)-[4-(pyridin-3-y...

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431. Zolpidem

Link: https://3d.nih.gov/entries/3DPX-004156

Description: Zolpidem is an imidazo[1,2-a]pyridine compound having a 4-tolyl group at the 2-position, an N,N-dimethylcarbamoylmethyl group at the 3-position and a methyl substituent at the 6-position. It has a ...

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432. (r)-Omeprazole

Link: https://3d.nih.gov/entries/3DPX-004157

Description: (R)-omeprazole is a 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole that has R configuration at the sulfur atom. It is an enantiomer of an esomeprazole.

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433. Rosuvastatin

Link: https://3d.nih.gov/entries/3DPX-004158

Description: Rosuvastatin is a dihydroxy monocarboxylic acid that is (6E)-7-{4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-(propan-2-yl)pyrimidin-5-yl} hept-6-enoic acid carrying two hydroxy substituents...

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434. Mometasone

Link: https://3d.nih.gov/entries/3DPX-004159

Description: Mometasone is an 11beta-hydroxy steroid, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(1),Delta(4)-steroid, a chlorinated steroid and a tertiary alpha-hydroxy ketone. It has a role as ...

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435. Arecoline

Link: https://3d.nih.gov/entries/3DPX-004161

Description: Arecoline is a tetrahydropyridine that is 1,2,5,6-tetrahydropyridine with a methyl group at position 1, and a methoxycarbonyl group at position 3. An alkaloid found in the areca nut, it acts as an ...

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436. N,N'-Dimethyl-N,N'-dinitrosooxamide

Link: https://3d.nih.gov/entries/3DPX-004170

Description: No description available

---

437. Carboxy 3 JFS

Link: https://3d.nih.gov/entries/3DPX-004174

Description: No description available

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438. Naloxone

Link: https://3d.nih.gov/entries/3DPX-004184

Description: Naloxone is a synthetic morphinane alkaloid that is morphinone in which the enone double bond has been reduced to a single bond, the hydrogen at position 14 has been replaced by a hydroxy group, an...

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439. Tetrahydropyran-2-methanol

Link: https://3d.nih.gov/entries/3DPX-004185

Description: No description available

---

440. Chrysophaentin F

Link: https://3d.nih.gov/entries/3DPX-004186

Description: 3D structure of Chrysophaentin F Quick MM2 Chemdraw

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441. Anthracene

Link: https://3d.nih.gov/entries/3DPX-004188

Description: No description available

---

442. Aspirin

Link: https://3d.nih.gov/entries/3DPX-004189

Description: No description available

---

443. (S)-(+)-2-Aminobutane

Link: https://3d.nih.gov/entries/3DPX-004190

Description: No description available

---

444. (R)-(-)-2-Aminobutane

Link: https://3d.nih.gov/entries/3DPX-004191

Description: No description available

---

445. 3-Bromocamphor

Link: https://3d.nih.gov/entries/3DPX-004193

Description: No description available

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446. Carbonic Acid

Link: https://3d.nih.gov/entries/3DPX-004197

Description: Carbonic acid is a carbon oxoacid and a chalcocarbonic acid. It has a role as a mouse metabolite. It is a conjugate acid of a hydrogencarbonate.

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447. 1-Chloro-2,4-dinitrobenzene

Link: https://3d.nih.gov/entries/3DPX-004199

Description: 1-chloro-2,4-dinitrobenzene is a C-nitro compound that is chlorobenzene carrying a nitro substituent at each of the 2- and 4-positions. It has a role as an epitope, an allergen and a sensitiser. It...

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448. 2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile

Link: https://3d.nih.gov/entries/3DPX-004212

Description: No description available

---

449. Lisinopril

Link: https://3d.nih.gov/entries/3DPX-004217

Description: No description available

---

450. (R)-3-Hydroxybutyric acid

Link: https://3d.nih.gov/entries/3DPX-004223

Description: (R)-3-hydroxybutyric acid is the R-enantiomer of 3-hydroxybutyric acid. Involved in the synthesis and degradation of ketone bodies, it can be used as an energy source by the brain during hypoglycae...

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451. 3-Hydroxybutyric acid

Link: https://3d.nih.gov/entries/3DPX-004224

Description: 3-hydroxybutyric acid is a straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised du...

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452. 3-Hydroxypentanoic acid

Link: https://3d.nih.gov/entries/3DPX-004225

Description: 3-hydroxypentanoic acid is a short-chain fatty acid that is valeric acid in which one of the methylene hydrogens at position 3 has been replaced by a hydroxy group. It is a short-chain fatty acid, ...

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453. Chlordiazepoxide

Link: https://3d.nih.gov/entries/3DPX-004228

Description: 7-chloro-4-hydroxy-N-methyl-5-phenyl-3H-1,4-benzodiazepin-2-imine is a benzodiazepine.

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454. Calicheamicinone

Link: https://3d.nih.gov/entries/3DPX-004235

Description: No description available

---

455. EXO_1

Link: https://3d.nih.gov/entries/3DPX-004240

Description: No description available

---

456. 4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-

Link: https://3d.nih.gov/entries/3DPX-004247

Description: No description available

---

457. (all-R)-cycHC[8] SM

Link: https://3d.nih.gov/entries/3DPX-004267

Description: No description available

---

458. (2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal

Link: https://3d.nih.gov/entries/3DPX-004268

Description: Aldehydo-L-glucose is the L-enantiomer of aldehydo-glucose. It is a L-glucose and an aldehydo-glucose. It is an enantiomer of an aldehydo-D-glucose.

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459. 2,3-Pentanedione

Link: https://3d.nih.gov/entries/3DPX-004280

Description: Pentane-2,3-dione is an alpha-diketone that is pentane substituted at the 2- and 3-positions by oxo groups. It has a role as a flavouring agent. It is an alpha-diketone and a methyl ketone. It deri...

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460. ETHYL ACETATE

Link: https://3d.nih.gov/entries/3DPX-004281

Description: Ethyl acetate is a clear colorless liquid with a fruity odor. Flash point 24°F. Less dense than water. Vapors heavier than air.

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461. Phloroglucinol

Link: https://3d.nih.gov/entries/3DPX-004285

Description: Phloroglucinol is a benzenetriol with hydroxy groups at position 1, 3 and 5. It has a role as an algal metabolite.

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462. (S)-4,5-dihydroxypentane-2,3-dione

Link: https://3d.nih.gov/entries/3DPX-004286

Description: (S)-4,5-dihydroxypentane-2,3-dione is pentane substituted at the 2- and 3-positions by oxo groups, at the 4- and 5-positions by hydroxy groups and with S stereoconfiguration at C-4. It has a role a...

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463. Phosphorus trichloride

Link: https://3d.nih.gov/entries/3DPX-004298

Description: Phosphorus trichloride is a phosphorus halide with formula Cl3P.

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464. 3-(1-methylpiperidin-4-yl)-1H-indol-5-ol

Link: https://3d.nih.gov/entries/3DPX-004299

Description: 3-(1-methyl-4-piperidinyl)-1H-indol-5-ol is a member of hydroxyindoles.

---

465. Sulfite

Link: https://3d.nih.gov/entries/3DPX-004305

Description: Sulfite is a sulfur oxoanion that is the conjugate base of hydrogen sulfite (H2SO3). It is a sulfur oxoanion, a sulfur oxide and a divalent inorganic anion. It is a conjugate base of a hydrogensulf...

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466. Fen-Br

Link: https://3d.nih.gov/entries/3DPX-004313

Description: No description available

---

467. 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2R,4R)-4-hydroxy-6-methyl-5-oxo-3-[(2S,4S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]chromen-4-one

Link: https://3d.nih.gov/entries/3DPX-004314

Description: No description available

---

468. Morphine

Link: https://3d.nih.gov/entries/3DPX-004319

Description: No description available

---

469. Vitamin E

Link: https://3d.nih.gov/entries/3DPX-004325

Description: (R,R,R)-alpha-tocopherol is an alpha-tocopherol that has R,R,R configuration. The naturally occurring stereoisomer of alpha-tocopherol, it is found particularly in sunflower and olive oils. It has ...

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470. Lenalidomide

Link: https://3d.nih.gov/entries/3DPX-004328

Description: Lenalidomide is a dicarboximide that consists of 1-oxoisoindoline bearing an amino substituent at position 4 and a 2,6-dioxopiperidin-3-yl group at position 2. Inhibits the secretion of TNF-alpha. ...

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471. 1-(1,2,3,4-Tetrahydroisoquinoline-1-yl)-3-methoxynaphthalene-2-ol

Link: https://3d.nih.gov/entries/3DPX-004332

Description: No description available

---

472. [(1R)-2-methyl-2-[(1S)-1-phenylethyl]-2-azoniabicyclo[2.2.1]heptan-7-yl] 2-cyclopentyl-2-phenylacetate

Link: https://3d.nih.gov/entries/3DPX-004333

Description: No description available

---

473. beta-cyclodextrin

Link: https://3d.nih.gov/entries/3DPX-004342

Description: No description available

---

474. Psilocin

Link: https://3d.nih.gov/entries/3DPX-004355

Description: Psilocin is a tryptamine alkaloid that is N,N-dimethyltryptamine carrying an additional hydroxy substituent at position 4. A hallucinogenic alkaloid isolated in trace amounts from Psilocybe mushroo...

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475. Ethylene Oxide

Link: https://3d.nih.gov/entries/3DPX-004356

Description: Oxirane is a saturated organic heteromonocyclic parent that is a three-membered heterocycle of two carbon atoms and one oxygen atom. It has a role as a mouse metabolite, an allergen and a mutagen. ...

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476. 9H-Purin-6-amine, 9-(5-deoxy-alpha-D-xylofuranosyl)-

Link: https://3d.nih.gov/entries/3DPX-004357

Description: No description available

---

477. 7-[3-Hydroxy-2-(3-hydroxyoctyl)-5-oxocyclopentyl]heptanoic acid

Link: https://3d.nih.gov/entries/3DPX-004358

Description: 13,14-dihydro-15(R)-Prostaglandin E1 is a prostanoid.

---

478. N,N-Dimethyl-5-methoxytryptamine

Link: https://3d.nih.gov/entries/3DPX-004359

Description: 5-methoxy-N,N-dimethyltryptamine is a tryptamine alkaloid that is N,N-dimethyltryptamine substituted by a methoxy group at position 5. It has a role as a hallucinogen and a plant metabolite. It is ...

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479. alpha-Maltose

Link: https://3d.nih.gov/entries/3DPX-004361

Description: Alpha-maltose is a maltose that has alpha-configuration at the reducing end anomeric centre.

---

480. CID 627

Link: https://3d.nih.gov/entries/3DPX-004373

Description: No description available

---

481. Cu(tbo2Pyr) Cation

Link: https://3d.nih.gov/entries/3DPX-004374

Description: No description available

---

482. Carbofuran

Link: https://3d.nih.gov/entries/3DPX-004381

Description: Carbofuran is a carbamate ester and a member of 1-benzofurans. It has a role as an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a carbamate insecticide, an EC 3.1.1.8 (cholinesterase) inhibitor, an...

---

483. Aspoxicillin

Link: https://3d.nih.gov/entries/3DPX-004383

Description: Aspoxicillin is a peptide.

---

484. 4-Aminohex-5-ynoic acid

Link: https://3d.nih.gov/entries/3DPX-004406

Description: No description available

---

485. Streptomycin

Link: https://3d.nih.gov/entries/3DPX-004408

Description: Streptomycin is a amino cyclitol glycoside that consists of streptidine having a disaccharyl moiety attached at the 4-position. The parent of the streptomycin class It has a role as an antimicrobia...

---

486. 2-(2,4-Difluorophenyl)-1-{[(2-fluorophenyl)methyl](prop-2-en-1-yl)amino}-3-(1H-1,2,4-triazol-1-yl)propan-2-ol

Link: https://3d.nih.gov/entries/3DPX-004420

Description: No description available

---

487. Empty M4L6 catecholamide cluster

Link: https://3d.nih.gov/entries/3DPX-004448

Description: No description available

---

488. Hexaquairon(III)_Th_symmetry

Link: https://3d.nih.gov/entries/3DPX-004451

Description: No description available

---

489. D-Galactose

Link: https://3d.nih.gov/entries/3DPX-004460

Description: D-galactopyranose is a galactopyranose having D-configuration. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a D-galactose and a galactopyranose.

---

490. alpha-Lactose

Link: https://3d.nih.gov/entries/3DPX-004464

Description: Alpha-lactose is the alpha-anomer of lactose.

---

491. Triclosan

Link: https://3d.nih.gov/entries/3DPX-004480

Description: No description available

---

492. 9-[5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)pentofuranosyl]-3,9-dihydro-1H-purine-2,6-dione

Link: https://3d.nih.gov/entries/3DPX-004487

Description: No description available

---

493. N-(3-Oxohexanoyl)homoserine lactone

Link: https://3d.nih.gov/entries/3DPX-004488

Description: N-(3-oxohexanoyl)homoserine lactone is a N-acyl homoserine lactone that is the monocarboxylic acid amide resulting from the formal condensation of the carboxy group of 3-oxohexanoic acid with the a...

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494. Ethyl-delta-8-tetrahydrocannabinol

Link: https://3d.nih.gov/entries/3DPX-004489

Description: No description available

---

495. Bicarbonate

Link: https://3d.nih.gov/entries/3DPX-004496

Description: Hydrogencarbonate is the carbon oxoanion resulting from the removal of a proton from carbonic acid. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli m...

---

496. 16-Methylicos-4-en-1-yn-3-ol

Link: https://3d.nih.gov/entries/3DPX-004497

Description: No description available

---

497. 2,5-Dioxopentanoic acid

Link: https://3d.nih.gov/entries/3DPX-004498

Description: 2,5-dioxopentanoic acid is a dioxo monocarboxylic acid and an aldehyde. It is functionally related to a valeric acid. It is a conjugate acid of a 2,5-dioxopentanoate.

---

498. Carbonate Ion

Link: https://3d.nih.gov/entries/3DPX-004499

Description: Carbonate is a carbon oxoanion. It is a conjugate base of a hydrogencarbonate.

---

499. Molecule

Link: https://3d.nih.gov/entries/3DPX-004504

Description: No description available

---

500. Silvestrol

Link: https://3d.nih.gov/entries/3DPX-004507

Description: Silvestrol is an organic heterotricyclic compound that consists of a 2,3,3a,8b-tetrahydro-H-benzo[b]cyclopenta[d]furan framework substituted by hydroxy groups at positions C-1 and C-8b, a methoxyca...

---

501. N-(2-trifluoromethyl-phenyl)-malonamic acid benzyl ester

Link: https://3d.nih.gov/entries/3DPX-004509

Description: No description available

---

502. propane

Link: https://3d.nih.gov/entries/3DPX-004513

Description: No description available

---

503. Isohumulone

Link: https://3d.nih.gov/entries/3DPX-004518

Description: No description available

---

504. humulone

Link: https://3d.nih.gov/entries/3DPX-004519

Description: No description available

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505. Amantadine

Link: https://3d.nih.gov/entries/3DPX-004521

Description: Amantadine is a member of the class of adamantanes that is used as an antiviral and antiparkinson drug. It has a role as an antiviral drug, an antiparkinson drug, a dopaminergic agent, an analgesic...

---

506. 170207-caffeine2

Link: https://3d.nih.gov/entries/3DPX-004522

Description: No description available

---

507. Penicillin v

Link: https://3d.nih.gov/entries/3DPX-004530

Description: Phenoxymethylpenicillin is a penicillin compound having a 6beta-(phenoxyacetyl)amino side-chain. It is a penicillin allergen and a penicillin. It is a conjugate acid of a phenoxymethylpenicillin(1-).

---

508. Alpha-Humulene

Link: https://3d.nih.gov/entries/3DPX-004531

Description: No description available

---

509. p-Phenylenediamine

Link: https://3d.nih.gov/entries/3DPX-004544

Description: 1,4-phenylenediamine is a phenylenediamine in which the amino functions are at positions 1 and 4 of the benzene nucleus. It has a role as a hapten, a dye, a reagent and an allergen.

---

510. 2731

Link: https://3d.nih.gov/entries/3DPX-004551

Description: No description available

---

511. 2731

Link: https://3d.nih.gov/entries/3DPX-004552

Description: No description available

---

512. delta-8-Tetrahydrocannabinol

Link: https://3d.nih.gov/entries/3DPX-004571

Description: No description available

---

513. trans,trans-Muconic acid

Link: https://3d.nih.gov/entries/3DPX-004575

Description: Muconic acid is a hexadienedioic acid with unsaturation at positions 2 and 4. It has a role as a human xenobiotic metabolite. It is a dicarboxylic fatty acid and a hexadienedioic acid. It is a conj...

---

514. Sultiame

Link: https://3d.nih.gov/entries/3DPX-004576

Description: Sultiame is an organic molecular entity.

---

515. Adenosine-5'-diphosphate

Link: https://3d.nih.gov/entries/3DPX-004577

Description: ADP is a purine ribonucleoside 5'-diphosphate having adenine as the nucleobase. It has a role as a human metabolite and a fundamental metabolite. It is an adenosine 5'-phosphate and a purine ribonu...

---

516. Nicotinamide-Adenine-Dinucleotide

Link: https://3d.nih.gov/entries/3DPX-004578

Description: NAD(+) is the oxidised form of nicotinamide adenine dinucleotide found in all living cells. In metabolism, NAD(+) is involved in redox reactions, carrying electrons from one reaction to another. It...

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517. Dihydroxytartaric acid

Link: https://3d.nih.gov/entries/3DPX-004579

Description: No description available

---

518. NADPH

Link: https://3d.nih.gov/entries/3DPX-004580

Description: NADPH is the reduced form of NADP+; used in anabolic reactions, such as lipid and nucleic acid synthesis, which require NADPH as a reducing agent. It has a role as a fundamental metabolite and a co...

---

519. 6-Benzyl-3-isopropyl-2(1H)-pyrazinone

Link: https://3d.nih.gov/entries/3DPX-004582

Description: Phevalin is a member of the class of pyrazinones that is pyrazin-2(1H)-one substituted by an isopropyl and benzyl groups at position 3 and 6, respectively. It is a natural product found in Staphylo...

---

520. Triethanolamine

Link: https://3d.nih.gov/entries/3DPX-004592

Description: Triethanolamine is a tertiary amino compound that is ammonia in which each of the hydrogens is substituted by a 2-hydroxyethyl group. It has a role as a buffer and a surfactant. It is a tertiary am...

---

521. isopropanol

Link: https://3d.nih.gov/entries/3DPX-004594

Description: An isomer of 1-propanol. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antisept...

---

522. 2-Ethyl-2-methyl-1,3-propanediol

Link: https://3d.nih.gov/entries/3DPX-004595

Description: No description available

---

523. cyanocobalamin

Link: https://3d.nih.gov/entries/3DPX-004608

Description: 10-chloro cyanocobalamine solvate

---

524. Ziprasidone

Link: https://3d.nih.gov/entries/3DPX-004618

Description: Ziprasidone is a piperazine compound having 1,2-benzothiazol-3-yl- and 2-(6-chloro-1,3-dihydro-2-oxindol-5-yl)ethyl substituents attached to the nitrogen atoms. It has a role as a psychotropic drug...

---

525. Acetylcarnitine

Link: https://3d.nih.gov/entries/3DPX-004623

Description: O-acetylcarnitine is an O-acylcarnitine having acetyl as the acyl substituent. It has a role as a human metabolite. It is functionally related to an acetic acid. It is a conjugate base of an O-acet...

---

526. Vandetanib

Link: https://3d.nih.gov/entries/3DPX-004625

Description: Vandetanib is a quinazoline that is 7-[(1-methylpiperidin-4-yl)methoxy]quinazoline bearing additional methoxy and 4-bromo-2-fluorophenylamino substituents at positions 6 and 4 respectively. Used fo...

---

527. Buckminsterfullerene

Link: https://3d.nih.gov/entries/3DPX-004628

Description: No description available

---

528. Spironolactone

Link: https://3d.nih.gov/entries/3DPX-004631

Description: Spironolactone is a steroid lactone that is 17alpha-pregn-4-ene-21,17-carbolactone substituted by an oxo group at position 3 and an alpha-acetylsulfanyl group at position 7. It has a role as a diur...

---

529. Hydroxide

Link: https://3d.nih.gov/entries/3DPX-004632

Description: Hydroxide is an oxygen hydride. It has a role as a mouse metabolite. It is a conjugate base of a water.

---

530. Hydrochloric Acid

Link: https://3d.nih.gov/entries/3DPX-004633

Description: Chlorine atom is a halogen. It has a role as a micronutrient.

---

531. Norepinephrine

Link: https://3d.nih.gov/entries/3DPX-004634

Description: (R)-noradrenaline is the R-enantiomer of noradrenaline. It has a role as a vasoconstrictor agent, an alpha-adrenergic agonist, a sympathomimetic agent, a mouse metabolite and a neurotransmitter. It...

---

532. 6-Aminopenicillanic acid

Link: https://3d.nih.gov/entries/3DPX-004642

Description: 6-aminopenicillanic acid is a penicillanic acid compound having a (6R)-amino substituent. The active nucleus common to all penicillins, it may be substituted at the 6-amino position to form the sem...

---

533. N-[5H-3,7-Dichlorodibenzo[b,f]azepine-10-yl]-N'-methylpipenzine

Link: https://3d.nih.gov/entries/3DPX-004643

Description: No description available

---

534. 1,1,1-Trichloroethane

Link: https://3d.nih.gov/entries/3DPX-004644

Description: 1,1,1-trichloroethane is a member of the class of chloroethanes carrying three chloro substituents at position 1. It has a role as a polar solvent.

---

535. Vanillin

Link: https://3d.nih.gov/entries/3DPX-004648

Description: Vanillin, energy minimized in Avogadro with MMFF94s

---

536. Dihydrorhodamine 123

Link: https://3d.nih.gov/entries/3DPX-004649

Description: No description available

---

537. Galantamine

Link: https://3d.nih.gov/entries/3DPX-004662

Description: Galanthamine is a benzazepine alkaloid isolated from certain species of daffodils. It has a role as an antidote to curare poisoning, an EC 3.1.1.7 (acetylcholinesterase) inhibitor, a cholinergic dr...

---

538. (+)-Camptothecin

Link: https://3d.nih.gov/entries/3DPX-004665

Description: LSM-1442 is a pyranoindolizinoquinoline.

---

539. Trolox

Link: https://3d.nih.gov/entries/3DPX-004670

Description: Trolox is a chromanol that is 6-hydroxychromane which is substituted by a carboxy group at position 2 and by methyl groups at positions 2, 5, 7, and 8. A cell-permeable, water-soluble analogue of v...

---

540. Azodicarbonamide

Link: https://3d.nih.gov/entries/3DPX-004671

Description: Azodicarbonamide is an organic molecular entity.

---

541. Benzamidine

Link: https://3d.nih.gov/entries/3DPX-004673

Description: Benzamidine is a carboxamidine that is benzene carrying an amidino group. It has a role as a serine protease inhibitor. It is a member of benzenes and a carboxamidine. It is functionally related to...

---

542. Citral

Link: https://3d.nih.gov/entries/3DPX-004675

Description: Citral, energy minmized with MMFF94 in Avogadro

---

543. Norethindrone acetate

Link: https://3d.nih.gov/entries/3DPX-004690

Description: Norethisterone acetate is a 3-oxo Delta(4)-steroid that is norethisterone in which the hydroxy group has been converted to its acetate ester. It has a role as a synthetic oral contraceptive and a p...

---

544. Sertraline

Link: https://3d.nih.gov/entries/3DPX-004691

Description: Sertraline is a selective serotonin reuptake inhibitor (SSRI) used in the therapy of depression, anxiety disorders and obsessive-compulsive disorder. Sertraline therapy can...

---

545. Flavin mononucleotide

Link: https://3d.nih.gov/entries/3DPX-004701

Description: FMN is a flavin mononucleotide that is riboflavin (vitamin B2) in which the primary hydroxy group has been converted to its dihydrogen phosphate ester. It has a role as a coenzyme, a bacterial meta...

---

546. O,P'-Ddt

Link: https://3d.nih.gov/entries/3DPX-004726

Description: 1,1,1-Trichloro-2-(o-chlorophenyl)-2-(p-chlorophenyl)ethane is a diarylmethane.

---

547. Chlorpyrifos

Link: https://3d.nih.gov/entries/3DPX-004741

Description: No description available

---

548. Heme group bound to Histidine residue

Link: https://3d.nih.gov/entries/3DPX-004746

Description: No description available

---

549. Bisdemethoxycurcumin

Link: https://3d.nih.gov/entries/3DPX-004747

Description: Bisdemethoxycurcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by 4-hydroxycinnamoyl groups. It has a role as a metabolite and an EC 3.2.1.1 (alpha-amylase) i...

---

550. Demethoxycurcumin

Link: https://3d.nih.gov/entries/3DPX-004748

Description: Demethoxycurcumin is a beta-diketone that is curcumin in which one of the methoxy groups is replaced by hydrogen. It is found in Curcuma zedoaria and Etlingera elatior. It has a role as a metabolit...

---

551. Eugenol

Link: https://3d.nih.gov/entries/3DPX-004749

Description: Eugenol is a phenylpropanoid formally derived from guaiacol with an allyl chain substituted para to the hydroxy group. It is a major component of clove essential oil, and exhibits antibacterial, an...

---

552. Methyleugenol

Link: https://3d.nih.gov/entries/3DPX-004750

Description: O-methyleugenol is a phenylpropanoid. It is functionally related to a eugenol.

---

553. 1-Propanol

Link: https://3d.nih.gov/entries/3DPX-004777

Description: Propan-1-ol is the parent member of the class of propan-1-ols that is propane in which a hydrogen of one of the methyl groups is replaced by a hydroxy group. It has a role as a protic solvent and a...

---

554. Cyclohexane (boat conf.)

Link: https://3d.nih.gov/entries/3DPX-004778

Description: No description available

---

555. Cyclohexane (chair conf.)

Link: https://3d.nih.gov/entries/3DPX-004779

Description: No description available

---

556. (-)-Limonene

Link: https://3d.nih.gov/entries/3DPX-004782

Description: (4S)-limonene is an optically active form of limonene having (4S)-configuration. It is an enantiomer of a (4R)-limonene.

---

557. Tallow Molecule

Link: https://3d.nih.gov/entries/3DPX-004784

Description: Tallow composed of stearic and oleic acid

---

558. alpha-TERPINEOL

Link: https://3d.nih.gov/entries/3DPX-004793

Description: No description available

---

559. Limonene

Link: https://3d.nih.gov/entries/3DPX-004795

Description: Limonene, energy minimized in Avogadro with MMFF94s forcefield.

---

560. Carvacrol

Link: https://3d.nih.gov/entries/3DPX-004796

Description: Carvacrol, energy minimized with MMFF94s.

---

561. (R)-Carvone

Link: https://3d.nih.gov/entries/3DPX-004797

Description: (R)-Carvone, energy minimized in Avogadro with MMFF94s forcefield.

---

562. Serotonin Molecule

Link: https://3d.nih.gov/entries/3DPX-004798

Description: No description available

---

563. Dibenzo-24-crown-8

Link: https://3d.nih.gov/entries/3DPX-004824

Description: No description available

---

564. Betonicine

Link: https://3d.nih.gov/entries/3DPX-004854

Description: No description available

---

565. Cyclohexanol

Link: https://3d.nih.gov/entries/3DPX-004856

Description: Cyclohexanol is an alcohol that consists of cyclohexane bearing a single hydroxy substituent. The parent of the class of cyclohexanols. It has a role as a solvent. It is a secondary alcohol and a m...

---

566. Diamantane 2

Link: https://3d.nih.gov/entries/3DPX-004864

Description: No description available

---

567. rAUG

Link: https://3d.nih.gov/entries/3DPX-004865

Description: AUG RNA trinucleotide

---

568. CID 5318432

Link: https://3d.nih.gov/entries/3DPX-004866

Description: PHYSICAL DESCRIPTION: Dark blue powder with coppery luster. Occurs in isomeric forms (cis and trans). In solid state it is in the trans form. (NTP, 1992)

---

569. Ferrocene

Link: https://3d.nih.gov/entries/3DPX-004869

Description: Common name dimethyl ferrocene-1,1'-dicarboxylate Chemical name dimethyl ferrocene-1,1'-dicarboxylate Formula C14 H14 Fe O4

---

570. Indigo

Link: https://3d.nih.gov/entries/3DPX-004874

Description: No description available

---

571. CID 5318432

Link: https://3d.nih.gov/entries/3DPX-004876

Description: PHYSICAL DESCRIPTION: Dark blue powder with coppery luster. Occurs in isomeric forms (cis and trans). In solid state it is in the trans form. (NTP, 1992)

---

572. Quercetin

Link: https://3d.nih.gov/entries/3DPX-004877

Description: Quercetin is a pentahydroxyflavone having the five hydroxy groups placed at the 3-, 3'-, 4'-, 5- and 7-positions. It is one of the most abundant flavonoids in edible vegetables, fruit and wine. It ...

---

573. Tetrodotoxin

Link: https://3d.nih.gov/entries/3DPX-004879

Description: No description available

---

574. Cu(dap)2Cl

Link: https://3d.nih.gov/entries/3DPX-004880

Description: No description available

---

575. Nanokid

Link: https://3d.nih.gov/entries/3DPX-004891

Description: No description available

---

576. Citral

Link: https://3d.nih.gov/entries/3DPX-004897

Description: No description available

577. Geraniol

Link: https://3d.nih.gov/entries/3DPX-004904

Description: Geraniol is a monoterpenoid consisting of two prenyl units linked head-to-tail and functionalised with a hydroxy group at its tail end. It has a role as a fragrance, an allergen, a volatile oil com...

---

578. (10,13-dimethyl-3,17-dioxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-4-yl) acetate

Link: https://3d.nih.gov/entries/3DPX-004907

Description: No description available

---

579. Azetidine-2-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-004908

Description: Azetidine-2-carboxylic acid is an azetidinecarboxylic acid that is azetidine substituted by a carboxy group at position 2. It is a plant non-protein amino acid. It has a role as a plant metabolite ...

---

580. Tretazicar

Link: https://3d.nih.gov/entries/3DPX-004909

Description: Tretazicar is a prodrug of a bifunctional alkylating, dinitrobenzamide derivative with antineoplastic activity. Tretazicar can be activated by the human enzyme quinone oxidoreductase 2 (NQO2) in th...

---

581. Saroglitazar

Link: https://3d.nih.gov/entries/3DPX-004912

Description: Saroglitazar is a monocarboxylic acid that is (2S)-2-ethoxy-3-(p-ethoxyphenyl)propanoic acid in which one of the methyl hydrogens of the p-ethoxy substituent has been replaced by the nitrogen of 2-...

---

582. Caffeine

Link: https://3d.nih.gov/entries/3DPX-004915

Description: No description available

---

583. Dopamine

Link: https://3d.nih.gov/entries/3DPX-004916

Description: No description available

---

584. Testing

Link: https://3d.nih.gov/entries/3DPX-004919

Description: No description available

---

585. Thiocaffeine

Link: https://3d.nih.gov/entries/3DPX-004921

Description: No description available

---

586. TestMolecule2

Link: https://3d.nih.gov/entries/3DPX-004927

Description: No description available

---

587. TestMolecule3

Link: https://3d.nih.gov/entries/3DPX-004928

Description: No description available

---

588. N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide

Link: https://3d.nih.gov/entries/3DPX-004931

Description: (+)-a(S)-butyr-amido-r-butyrolactone is a N-acyl-amino acid.

---

589. 2,2-Bis(4-hydroxyphenyl)-1,1,1-trichloroethane

Link: https://3d.nih.gov/entries/3DPX-004936

Description: 1,1,1-trichloro-2,2-bis(4-hydroxyphenyl)ethane is a bisphenol. It is functionally related to a 1,1,1-trichloro-2,2-diphenylethane.

---

590. fluconazole

Link: https://3d.nih.gov/entries/3DPX-004946

Description: No description available

---

591. 1,1-Cyclobutanedicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-004949

Description: Cyclobutane-1,1-dicarboxylic acid is a cyclobutanedicarboxylic acid. It is a conjugate acid of a cyclobutane-1,1-dicarboxylate(1-).

---

592. CArboplatin

Link: https://3d.nih.gov/entries/3DPX-004950

Description: No description available

---

593. 1-Octanol

Link: https://3d.nih.gov/entries/3DPX-004952

Description: Octan-1-ol is an octanol carrying the hydroxy group at position 1. It has a role as a plant metabolite. It is an octanol and a primary alcohol.

---

594. Corticosterone

Link: https://3d.nih.gov/entries/3DPX-004955

Description: Corticosterone is a 21-hydroxy steroid that consists of pregn-4-ene substituted by hydroxy groups at positions 11 and 21 and oxo groups at positions 3 and 20. Corticosterone is a 21-carbon steroid ...

---

595. Diindeno[1,2,3-cd:1',2',3'-lm]perylene

Link: https://3d.nih.gov/entries/3DPX-004962

Description: No description available

---

596. Naphthacene

Link: https://3d.nih.gov/entries/3DPX-004964

Description: Tetracene is an acene that consists of four ortho-fused benzene rings in a rectilinear arrangement. It is an acene and a member of tetracenes.

---

597. Azobenzene

Link: https://3d.nih.gov/entries/3DPX-004969

Description: Azobenzene is a molecule whose structure comprises two phenyl rings linked by a N=N double bond; the parent compound of the azobenzene class of compounds.

---

598. p-Sexiphenyl

Link: https://3d.nih.gov/entries/3DPX-004975

Description: No description available

---

599. CID 5454207

Link: https://3d.nih.gov/entries/3DPX-004979

Description: No description available

---

600. Tetrachloro DDT

Link: https://3d.nih.gov/entries/3DPX-004983

Description: No description available

---

601. andiconin

Link: https://3d.nih.gov/entries/3DPX-004984

Description: No description available

---

602. a

Link: https://3d.nih.gov/entries/3DPX-004985

Description: No description available

---

603. CID 6918685

Link: https://3d.nih.gov/entries/3DPX-004986

Description: No description available

---

604. U-CAM-2H2O

Link: https://3d.nih.gov/entries/3DPX-004989

Description: Uranium after loss of 2 waters with CAM

---

605. U-CAM

Link: https://3d.nih.gov/entries/3DPX-004990

Description: uranyl integrated in CAM ligand

---

606. Anthrone

Link: https://3d.nih.gov/entries/3DPX-004991

Description: Anthrone is a member of the class of anthracenes that is 9,10-dihydroanthracene carrying an oxo group at C-9. It has a role as a radical scavenger. It is a tautomer of a 9-anthrol.

---

607. (2S)-2-{[2-(L-cysteinylamino)-2-deoxy-alpha-D-glucopyranosyl]oxy}butanedioic acid

Link: https://3d.nih.gov/entries/3DPX-005003

Description: Bacillithiol is a thiol that is the alpha-anomeric glycoside of L-cysteinyl-D-glucosamine with L-malic acid. It has a role as an antioxidant, a cofactor and a bacterial metabolite. It is a glycosid...

---

608. Ethyl cyanoacetate

Link: https://3d.nih.gov/entries/3DPX-005012

Description: Ethyl cyanoacetate is a colorless liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals.

---

609. Brassicasterol

Link: https://3d.nih.gov/entries/3DPX-005014

Description: https://pubchem.ncbi.nlm.nih.gov/compound/6432458

---

610. Single helical amylose

Link: https://3d.nih.gov/entries/3DPX-005019

Description: No description available

---

611. Single cellulose chain

Link: https://3d.nih.gov/entries/3DPX-005020

Description: No description available

---

612. Ferrocene

Link: https://3d.nih.gov/entries/3DPX-005030

Description: No description available

---

613. Ferrocene

Link: https://3d.nih.gov/entries/3DPX-005032

Description: No description available

---

614. Compound X

Link: https://3d.nih.gov/entries/3DPX-005040

Description: No description available

---

615. Prazosin

Link: https://3d.nih.gov/entries/3DPX-005041

Description: Prazosin is a member of the class of piperazines that is piperazine substituted by a furan-2-ylcarbonyl group and a 4-amino-6,7-dimethoxyquinazolin-2-yl group at positions 1 and 4 respectively. It ...

---

616. Phentolamine

Link: https://3d.nih.gov/entries/3DPX-005042

Description: Phentolamine is a substituted aniline that is 3-aminophenol in which the hydrogens of the amino group are replaced by 4-methylphenyl and 4,5-dihydro-1H-imidazol-2-ylmethyl groups respectively. An a...

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617. Compound Y

Link: https://3d.nih.gov/entries/3DPX-005044

Description: No description available

---

618. Carnosic acid

Link: https://3d.nih.gov/entries/3DPX-005047

Description: Carnosic acid is an abietane diterpenoid that is abieta-8,11,13-triene substituted by hydroxy groups at positions 11 and 12 and a carboxy group at position 20. It is isolated from rosemary (Rosmari...

---

619. L-Cysteine, N-acetyl-S-(3-chloro-2-hydroxypropyl)-

Link: https://3d.nih.gov/entries/3DPX-005048

Description: No description available

---

620. Chamazulene

Link: https://3d.nih.gov/entries/3DPX-005049

Description: Chamazulene is a sesquiterpenoid.

---

621. Rhodium(II) Esp Dimer

Link: https://3d.nih.gov/entries/3DPX-005050

Description: This is a popular rhodium catalyst frequently used to decompose diazo compounds in to metallocarbenes

---

622. Compound A

Link: https://3d.nih.gov/entries/3DPX-005055

Description: No description available

---

623. Compound B

Link: https://3d.nih.gov/entries/3DPX-005056

Description: No description available

---

624. Ptcdi-C8

Link: https://3d.nih.gov/entries/3DPX-005057

Description: No description available

---

625. Camphor

Link: https://3d.nih.gov/entries/3DPX-005058

Description: Camphor is a cyclic monoterpene ketone that is bornane bearing an oxo substituent at position 2. A naturally occurring monoterpenoid. It has a role as a plant metabolite. It is a bornane monoterpen...

---

626. Pinocamphone

Link: https://3d.nih.gov/entries/3DPX-005059

Description: (-)-Pinocamphone is a monoterpenoid.

---

627. Caffeine (without hydrogens)

Link: https://3d.nih.gov/entries/3DPX-000506

Description: No description available

---

628. Gallic Acid

Link: https://3d.nih.gov/entries/3DPX-005060

Description: Gallic acid is a trihydroxybenzoic acid in which the hydroxy groups are at positions 3, 4, and 5. It has a role as an astringent, a cyclooxygenase 2 inhibitor, a plant metabolite, an antioxidant, a...

---

629. Avibactam

Link: https://3d.nih.gov/entries/3DPX-005061

Description: free acid

---

630. Tazobactam

Link: https://3d.nih.gov/entries/3DPX-005062

Description: No description available

---

631. Compound X +H

Link: https://3d.nih.gov/entries/3DPX-005063

Description: No description available

---

632. Compound Y +H

Link: https://3d.nih.gov/entries/3DPX-005064

Description: No description available

---

633. [5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005065

Description: 9-(5-O-Phosphonopentofuranosyl)-9H-purin-6-amine is a purine ribonucleoside monophosphate.

---

634. Bisphenol A diglycidyl ether

Link: https://3d.nih.gov/entries/3DPX-005066

Description: Bisphenol A diglycidyl ether is a diarylmethane.

---

635. Diethylenetriamine

Link: https://3d.nih.gov/entries/3DPX-005067

Description: Diethylenetriamine is a triamine and a polyazaalkane.

---

636. Triethylenetetramine

Link: https://3d.nih.gov/entries/3DPX-005068

Description: 2,2,2-tetramine is a polyazaalkane that is decane in which the carbon atoms at positions 1, 4, 7 and 10 are replaced by nitrogens. It has a role as a copper chelator. It is a tetramine and a polyaz...

---

637. 1-(2-Aminoethyl)piperazine

Link: https://3d.nih.gov/entries/3DPX-005069

Description: N-aminoethylpiperazine is a colorless liquid with a faint fishlike odor. Flash point 199°F. Corrosive to tissue. Toxic oxides of nitrogen are produced by combustion.

---

638. Caffeine (with hydrogens)

Link: https://3d.nih.gov/entries/3DPX-000507

Description: No description available

---

639. CYCLOHEXYLAMINE

Link: https://3d.nih.gov/entries/3DPX-005070

Description: Cyclohexylamine is a clear colorless to yellow liquid with an odor of ammonia. Flash point 90°F. Irritates the eyes and respiratory system. Skin contact may cause burns. Less dense than water. Vapo...

---

640. Nitroglycerin

Link: https://3d.nih.gov/entries/3DPX-005071

Description: No description available

---

641. Luminol

Link: https://3d.nih.gov/entries/3DPX-005083

Description: PHYSICAL DESCRIPTION: Yellow crystals or light beige powder. (NTP, 1992)

---

642. Glutathione

Link: https://3d.nih.gov/entries/3DPX-005084

Description: No description available

---

643. Doxycycline

Link: https://3d.nih.gov/entries/3DPX-005086

Description: No description available

---

644. 5-Methylcytosine

Link: https://3d.nih.gov/entries/3DPX-005106

Description: 5-methylcytosine is a pyrimidine that is a derivative of cytosine, having a methyl group at the 5-position. It has a role as a human metabolite. It is a member of pyrimidines and a methylcytosine. ...

---

645. Lanosterol

Link: https://3d.nih.gov/entries/3DPX-005112

Description: Lanosterol is a tetracyclic triterpenoid that is lanosta-8,24-diene substituted by a beta-hydroxy group at the 3beta position. It is the compound from which all steroids are derived. It has a role ...

---

646. Dexamethasone

Link: https://3d.nih.gov/entries/3DPX-005118

Description: No description available

---

647. Indole-3-acetic acid

Link: https://3d.nih.gov/entries/3DPX-005122

Description: Indole-3-acetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens has been replaced by a 1H-indol-3-yl group. It has a role as a plant hormone, a human metaboli...

---

648. 5,6-Dihydroxycyclohexa-1,3-diene-1-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005123

Description: 2,3-dihydroxy-2,3-dihydrobenzoic acid is a cyclohexadienecarboxylic acid having the C=C bonds at the 1- and 3-positions, the carboxylic acid at the 1-position and two hydroxy substituents at the 5-...

---

649. 1-Aminopropan-2-ol

Link: https://3d.nih.gov/entries/3DPX-005124

Description: 1-aminopropan-2-ol is any amino alcohol that is propan-2-ol substituted by an amino group at position 1. It has a role as an Escherichia coli metabolite. It is an amino alcohol and a secondary alco...

---

650. Hydroxymethanesulfinic acid

Link: https://3d.nih.gov/entries/3DPX-005125

Description: No description available

---

651. 3-Amino-2-oxopropyl phosphate

Link: https://3d.nih.gov/entries/3DPX-005126

Description: 3-amino-2-oxopropyl phosphate is a oxoalkyl phosphate having 3-amino-2-oxopropyl as the oxoalkyl group. It is a conjugate acid of a 3-ammonio-2-oxopropyl phosphate(1-).

---

652. 9-Ethyladenine

Link: https://3d.nih.gov/entries/3DPX-005127

Description: No description available

---

653. 2,3-Dihydroxy-3-methylpentanoic acid

Link: https://3d.nih.gov/entries/3DPX-005128

Description: 2,3-Dihydroxy-3-methylpentanoate is a hydroxy fatty acid.

---

654. (2,3,4,5,6-Pentahydroxycyclohexyl) dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005129

Description: Myo-inositol 1-phosphate is a metabolite of the Inositol phosphate metabolism and the Phosphatidylinositol signaling system. Inositol phosphatases [EC:3. 1. 3. 25] play a crucial role in the phosph...

---

655. CID 10

Link: https://3d.nih.gov/entries/3DPX-005130

Description: 10-Formyltetrahydrofolate (10-CHO-THF) is form of tetrahydrofolate that acts as a donor of formyl groups in anabolism. In particular, 10-CHO-THF is used as a substrate in a number of formyltransfer...

---

656. 1,2,4-Trichlorobenzene

Link: https://3d.nih.gov/entries/3DPX-005131

Description: 1,2,4-trichlorobenzene is a trichlorobenzene with chloro substituents at positions 1, 2 and 4.

---

657. 7-[3-Hydroxy-5-oxo-2-(3-oxooct-1-enyl)cyclopentyl]heptanoic acid

Link: https://3d.nih.gov/entries/3DPX-005132

Description: No description available

---

658. 1,8-Diazacyclotetradecane-2,9-dione

Link: https://3d.nih.gov/entries/3DPX-005133

Description: 1,8-diazacyclotetradecane-2,9-dione is a ketone.

---

659. 2,3-Dihydropyridine-2,6-dicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005134

Description: 2,3-dihydrodipicolinic acid is a dihydrodipicolinic acid. It is a conjugate acid of a 2,3-dihydrodipicolinate(2-).

---

660. 2,3-dioxo-L-gulonic

Link: https://3d.nih.gov/entries/3DPX-005135

Description: No description available

---

661. 2,3-Dihydroxybenzoic acid

Link: https://3d.nih.gov/entries/3DPX-005136

Description: 2,3-dihydroxybenzoic acid is a dihydroxybenzoic acid that is benzoic acid substituted by hydroxy groups at positions 2 and 3. It occurs naturally in Phyllanthus acidus and in the aquatic fern Salvi...

---

662. 3-(2,3-Dihydroxyphenyl)propanoic acid

Link: https://3d.nih.gov/entries/3DPX-005137

Description: 3-(2,3-dihydroxyphenyl)propanoic acid is a monocarboxylic acid that is propionic acid carrying a 2,3-dihydroxyphenyl substituent at C-3; a microbial metabolite of quinoline. It has a role as a meta...

---

663. 2-Aceto-2-hydroxybutanoate

Link: https://3d.nih.gov/entries/3DPX-005138

Description: 2-Aceto-2-hydroxybutanoate is a hydroxy fatty acid.

---

664. 2-Hydroxy-2-methyl-3-oxobutanoic acid

Link: https://3d.nih.gov/entries/3DPX-005139

Description: 2-acetyllactic acid is a derivative of butyric acid having methyl, hydroxy and oxo substituents at the 2-, 2- and 3-positions respectively. It has a role as a mouse metabolite. It is a 3-oxo monoca...

---

665. CID 23

Link: https://3d.nih.gov/entries/3DPX-005140

Description: 2-amino-3-carboxymuconic acid semialdehyde is an intermediate metabolite of the tryptophan-niacin catabolic pathway. Current interest in the degradation of tryptophan is mostly due to the role of q...

---

666. 1-(2-Amino-7,8-dihydroxy-4-oxo-3,4a,7,8a-tetrahydropteridin-6-yl)propane-1,2-dione

Link: https://3d.nih.gov/entries/3DPX-005141

Description: No description available

---

667. CID 27

Link: https://3d.nih.gov/entries/3DPX-005142

Description: No description available

---

668. 2,4-Hexadienedioicacid, 2-amino-

Link: https://3d.nih.gov/entries/3DPX-005143

Description: 2-Aminomuconic acid is a product of the Tryptophan metabolism degradation pathway (kinurenine pathway), in a reaction catabolized by the enzyme aminocarboxymuconate semialdehyde decarboxylase [EC:4...

---

669. 3-Oxoalanine

Link: https://3d.nih.gov/entries/3DPX-005144

Description: 3-oxoalanine is a non-proteinogenic alpha-amino acid that is serine in which the alcoholic hydroxy group has been formally oxidised to the corresponding formyl group. It is a non-proteinogenic alph...

---

670. 2-Amino-6-oxohexa-2,4-dienoic acid

Link: https://3d.nih.gov/entries/3DPX-005145

Description: No description available

---

671. (2,3,4-Trihydroxy-3-methylbutyl) dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005146

Description: No description available

---

672. 1,3-Butadiene-1,1,4-tricarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005147

Description: No description available

---

673. Chloroacetaldehyde

Link: https://3d.nih.gov/entries/3DPX-005148

Description: Chloroacetaldehyde is acetaldehyde substituted at C-2 by chlorine. It is functionally related to an acetaldehyde.

---

674. 2-Chloroethanol

Link: https://3d.nih.gov/entries/3DPX-005149

Description: 2-chloroethanol is a chloroethanol carrying a chloro substituent at position 2. It has a role as a xenobiotic metabolite.

---

675. (2-Chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid

Link: https://3d.nih.gov/entries/3DPX-005150

Description: (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetic acid is an organochlorine compound and a 5-oxo-2-furylacetic acid. It is a conjugate acid of a (2-chloro-5-oxo-2,5-dihydro-2-furyl)acetate.

---

676. 2-Hydroxy-3-isopropylsuccinic acid

Link: https://3d.nih.gov/entries/3DPX-005151

Description: 3-isopropylmalic acid is a 2-hydroxydicarboxylic acid and a dicarboxylic fatty acid. It is functionally related to a succinic acid. It is a conjugate acid of a 3-isopropylmalate(2-).

---

677. 3-Deoxyhex-2-ulosonic acid

Link: https://3d.nih.gov/entries/3DPX-005152

Description: No description available

---

678. 2-Dehydropantoate

Link: https://3d.nih.gov/entries/3DPX-005153

Description: 2-dehydropantoic acid is an oxo monocarboxylic acid that is 2-oxobutanoic acid in which both of the hydrogens at position 3 are substituted by methyl groups and one of the hydrogens at position 4 i...

---

679. Dihydro-4,4-dimethyl-2,3-Furandione

Link: https://3d.nih.gov/entries/3DPX-005154

Description: 2-dehydropantolactone is a tetrahydrofurandione. It is functionally related to a pantoic acid.

---

680. 2-Deoxyhexopyranose

Link: https://3d.nih.gov/entries/3DPX-005155

Description: 2-Deoxy-D-arabino-hexose. An antimetabolite of glucose with antiviral activity.

---

681. 1-Penten-3-one, 2-hydroxy-5-(methylthio)-1-(phosphonooxy)-

Link: https://3d.nih.gov/entries/3DPX-005156

Description: No description available

---

682. 2-Hydroxy-6-oxonona-2,4-dienedioic acid

Link: https://3d.nih.gov/entries/3DPX-005157

Description: No description available

---

683. 2-Hydroxyglutaric acid

Link: https://3d.nih.gov/entries/3DPX-005158

Description: 2-hydroxyglutaric acid is a 2-hydroxydicarboxylic acid that is glutaric acid in which one hydrogen alpha- to a carboxylic acid group is substituted by a hydroxy group. It has a role as a metabolite...

---

684. Tartronate

Link: https://3d.nih.gov/entries/3DPX-005159

Description: Hydroxymalonate(2-) is a dicarboxylic acid dianion and a hydroxymalonate. It is functionally related to a malonate(2-). It is a conjugate base of a hydroxymalonate(1-).

---

685. Tartronic acid

Link: https://3d.nih.gov/entries/3DPX-005160

Description: Hydroxymalonic acid is a dicarboxylic acid that is malonic acid substituted by a hydroxy group at position 2. It has a role as a plant metabolite. It is a dicarboxylic acid and a dicarboxylic fatty...

---

686. 3-Deoxy-6-O-phosphonohex-2-ulosonic acid

Link: https://3d.nih.gov/entries/3DPX-005161

Description: 2-Keto-3-deoxy-6-phosphogluconic acid is a substrate for Fructose-bisphosphate aldolase A.

---

687. 3-Methyl-2-oxovaleric acid

Link: https://3d.nih.gov/entries/3DPX-005162

Description: 3-methyl-2-oxovaleric acid is a 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isol...

---

688. alpha-Ketoglutaramate

Link: https://3d.nih.gov/entries/3DPX-005163

Description: 2-oxoglutaramic acid is a 2-oxo monocarboxylic acid. It is functionally related to a glutaramic acid. It is a conjugate acid of a 2-oxoglutaramate.

---

689. 3-Methyl-2-oxobutanoic acid

Link: https://3d.nih.gov/entries/3DPX-005164

Description: 3-methyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It is a 2-...

---

690. 2-keto-L-gluconate

Link: https://3d.nih.gov/entries/3DPX-005165

Description: 2-Keto-L-gluconate is a hexose.

---

691. 2-Oxobutanoic acid

Link: https://3d.nih.gov/entries/3DPX-005166

Description: 2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is the 2-oxo derivative of butanoic acid. It is a 2-oxo monocarboxylic acid and a short-chain fatty acid. It is functionally related to a buty...

---

692. 2-Phosphoglyceric acid

Link: https://3d.nih.gov/entries/3DPX-005167

Description: 2-phosphoglyceric acid is a monophosphoglyceric acid having the phospho group at the 2-position. It is a monophosphoglyceric acid and a tetronic acid derivative. It is functionally related to a gly...

---

693. 2,3-Diphosphoglyceric acid

Link: https://3d.nih.gov/entries/3DPX-005168

Description: 2,3-bisphosphoglyceric acid is a bisphosphoglyceric acid that is glyceric acid carrying two phospho substituents at positions 2 and 3. It has a role as a human metabolite. It is a tetronic acid der...

---

694. 2,4,5-Trichlorocyclohexa-2,5-dien-1-ol

Link: https://3d.nih.gov/entries/3DPX-005169

Description: 2,4,5-trichlorocyclohexa-2,5-dien-1-ol is an organochlorine compound and a cyclohexadienol.

---

695. 2,4-Diaminopentanoic acid

Link: https://3d.nih.gov/entries/3DPX-005170

Description: 2,4-diaminopentanoic acid is a diamino acid consisting of pentanoic acid having the amino substituents placed in the 2- and 4-positions. It is a diamino acid and a non-proteinogenic alpha-amino aci...

---

696. 2,5-Dichloro-2,5-cyclohexadiene-1,4-diol

Link: https://3d.nih.gov/entries/3DPX-005171

Description: 2,5-dichloro-2,5-cyclohexadiene-1,4-diol is a cyclohexadienediol that is cyclohexa-2,5-diene-1,4-diol in which positions 2 and 5 are substituted by chlorines. It has a role as a bacterial xenobioti...

---

697. 2,5-Dichlorohydroquinone

Link: https://3d.nih.gov/entries/3DPX-005172

Description: 2,5-dichlorohydroquinone is a dichlorohydroquinone that is hydroquinone substituted by chloro groups at positions 2 and 5 respectively. It has a role as a bacterial xenobiotic metabolite.

---

698. 2,5-Dichlorophenol

Link: https://3d.nih.gov/entries/3DPX-005173

Description: 2,5-dichlorophenol is a dichlorophenol with the chloro substituents at positions 2 and 5. It has a role as a human xenobiotic metabolite.

---

699. 2,5-Diketogluconsaure

Link: https://3d.nih.gov/entries/3DPX-005174

Description: No description available

---

700. 2-C-Methyl-D-erythritol-2,4-cyclopyrophosphate

Link: https://3d.nih.gov/entries/3DPX-005175

Description: No description available

---

701. 2-Hydroxy-6-oxo-2,4-heptadienoic acid

Link: https://3d.nih.gov/entries/3DPX-005176

Description: 2-hydroxy-6-oxo-2,4-heptadienoic acid is an alpha,beta-unsaturated monocarboxylic acid that is 2,4-heptadienoic acid substituted by hydroxy and oxo groups at positions 2 and 6 respectively. It has ...

---

702. 4-Methyl-2-oxopentanoic acid

Link: https://3d.nih.gov/entries/3DPX-005177

Description: 4-methyl-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to...

---

703. 2-Oxoadipic acid

Link: https://3d.nih.gov/entries/3DPX-005178

Description: 2-oxoadipic acid is an oxo dicarboxylic acid that is adipic acid substituted by an oxo group at position 2. It has a role as a mouse metabolite and a human urinary metabolite. It is functionally re...

---

704. 3,4-Dihydroxybenzoic acid

Link: https://3d.nih.gov/entries/3DPX-005179

Description: 3,4-dihydroxybenzoic acid is a dihydroxybenzoic acid in which the hydroxy groups are located at positions 3 and 4. It has a role as a human xenobiotic metabolite, a plant metabolite, an antineoplas...

---

705. Adenosine-3',5'-bisphosphate

Link: https://3d.nih.gov/entries/3DPX-005180

Description: No description available

---

706. 3-Aminopropanal

Link: https://3d.nih.gov/entries/3DPX-005181

Description: 3-aminopropanal is a propanal having an amino substituent at the 3-position It is an omega-aminoaldehyde and a member of propanals. It is a conjugate base of a 3-ammoniopropanal.

---

707. 2-Isopropylmalic acid

Link: https://3d.nih.gov/entries/3DPX-005182

Description: 2-isopropylmalic acid is a dicarboxylic acid that is malic acid (2-hydroxysuccinic acid) in which the hydrogen at position 2 is substituted by an isopropyl group. It has a role as a metabolite. It ...

---

708. 3-Chloroalanine

Link: https://3d.nih.gov/entries/3DPX-005183

Description: 3-chloroalanine is a chloroalanine obtained by replacement of one of the methyl hydrogens of alanine by a chloro group. It is a non-proteinogenic alpha-amino acid, an organochlorine compound and a ...

---

709. 3-Cyanopyridine

Link: https://3d.nih.gov/entries/3DPX-005184

Description: 3-pyridinecarbonitrile is a nitrile that is pyridine substituted by a cyano group at position 3. It is a nitrile and a member of pyridines. It is functionally related to a pyridine.

---

710. 4,5-Dihydroxy-3-oxocyclohexene-1-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005185

Description: 4,5-Dihydroxy-3-oxo-1-cyclohexene-1-carboxylic acid is a member of cyclohexenones.

---

711. 4,5,6-Trihydroxy-2-oxo-7-phosphonooxyheptanoic acid

Link: https://3d.nih.gov/entries/3DPX-005186

Description: No description available

---

712. 1-Cyclohexene-1-carboxylic acid, 5-((1-carboxyethenyl)oxy)-4-hydroxy-3-(phosphonooxy)-

Link: https://3d.nih.gov/entries/3DPX-005187

Description: No description available

---

713. 3-Phosphonylpyruvic acid

Link: https://3d.nih.gov/entries/3DPX-005188

Description: No description available

---

714. Carnitine

Link: https://3d.nih.gov/entries/3DPX-005189

Description: Carnitinium is a quaternary ammonium ion that is the the conjugate acid of carnitine. It has a role as a human metabolite and a mouse metabolite. It is functionally related to a gamma-amino-beta-hy...

---

715. 3-Hydroxyanthranilic acid

Link: https://3d.nih.gov/entries/3DPX-005190

Description: 3-hydroxyanthranilic acid is an aminobenzoic acid that is benzoic acid substituted at C-2 by an amine group and at C-3 by a hydroxy group. It is an intermediate in the metabolism of the amino acid ...

---

716. 3-Hydroxyisobutyric acid

Link: https://3d.nih.gov/entries/3DPX-005191

Description: 3-hydroxyisobutyric acid is a 4-carbon, branched hydroxy fatty acid and intermediate in the metabolism of valine. It is functionally related to a propionic acid. It is a conjugate acid of a 3-hydro...

---

717. 3-Hydroxykynurenine

Link: https://3d.nih.gov/entries/3DPX-005192

Description: 3-hydroxykynurenine is a hydroxykynurenine that is kynurenine substituted by a hydroxy group at position 3. It has a role as a human metabolite.

---

718. 3-(3-Hydroxyphenyl)propanoic acid

Link: https://3d.nih.gov/entries/3DPX-005193

Description: 3-(3-hydroxyphenyl)propanoic acid is a monocarboxylic acid that is propionic acid carrying a 3-hydroxyphenyl substituent at C-3. It has a role as a human xenobiotic metabolite and an Escherichia co...

---

719. 6'-Methoxycinchonan-3,9-diol

Link: https://3d.nih.gov/entries/3DPX-005194

Description: 3-Hydroxyquinine is a major metabolite of quinine. The formation of 3-hydroxyquinine is catalysed by cytochrome P450 3A4.

---

720. 3-Oxoadipic acid

Link: https://3d.nih.gov/entries/3DPX-005195

Description: 3-oxoadipic acid is an oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position. It has a role as a bacterial xenobiotic metabolite and a human metabolite. It is ...

---

721. 2,4,5,6-Tetrahydroxy-3-oxohexanoic acid

Link: https://3d.nih.gov/entries/3DPX-005196

Description: No description available

---

722. Acetoacetic acid

Link: https://3d.nih.gov/entries/3DPX-005197

Description: Acetoacetic acid is a 3-oxo monocarboxylic acid that is butyric acid bearing a 3-oxo substituent. It has a role as a metabolite. It is a ketone body and a 3-oxo fatty acid. It is functionally relat...

---

723. 3-Mercaptopyruvic acid

Link: https://3d.nih.gov/entries/3DPX-005198

Description: 3-mercaptopyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid substituted by a sulfanyl group at position 3. It has a role as a human metabolite, an Escherichia coli metabolite, a mous...

---

724. 3-Hydroxybenzaldehyde

Link: https://3d.nih.gov/entries/3DPX-005199

Description: 3-hydroxybenzaldehyde is a hydroxybenzaldehyde carrying a hydroxy substituent at position 3.

---

725. 3-Hydroxybenzyl alcohol

Link: https://3d.nih.gov/entries/3DPX-005200

Description: 3-hydroxybenzyl alcohol is a hydroxybenzyl alcohol that is phenol substituted at position C-3 by a hydroxymethyl group. It has a role as a metabolite. It is a member of phenols and a hydroxybenzyl ...

---

726. 5-Oxo-4,5-dihydro-2-furylacetic acid

Link: https://3d.nih.gov/entries/3DPX-005201

Description: 5-oxo-4,5-dihydro-2-furylacetic acid is the 4,5-dihydro- derivative of 5-oxo-2-furylacetic acid. It has a role as a bacterial metabolite. It is a conjugate acid of a 5-oxo-4,5-dihydro-2-furylacetate.

---

727. Phosphohydroxypyruvic acid

Link: https://3d.nih.gov/entries/3DPX-005202

Description: 3-phosphonooxypyruvic acid is a carboxyalkyl phosphate that is pyruvic acid substituted at position 3 by a 3-phosphonooxy group. It is functionally related to a pyruvic acid. It is a conjugate acid...

---

728. dl-O-Phosphoserine

Link: https://3d.nih.gov/entries/3DPX-005203

Description: O-phosphoserine is a serine derivative that is serine substituted at the oxygen atom by a phosphono group. It has a role as a human metabolite. It is a non-proteinogenic alpha-amino acid, a serine ...

---

729. 3-Phenylpropionic acid

Link: https://3d.nih.gov/entries/3DPX-005204

Description: 3-phenylpropionic acid is a monocarboxylic acid that is propionic acid substituted at position 3 by a phenyl group. It has a role as an antifungal agent, a human metabolite and a plant metabolite. ...

---

730. 3-Pyridineacetic acid

Link: https://3d.nih.gov/entries/3DPX-005205

Description: 3-pyridylacetic acid is a monocarboxylic acid that is acetic acid substituted by a (pyridin-3-yl) group. It is a metabolite of nicotine and other tobacco alkaloids. It has a role as a human xenobio...

---

731. Cysteine sulfinic acid

Link: https://3d.nih.gov/entries/3DPX-005206

Description: 3-Sulfinoalanine or cysteinesulfinic acid is a N-methyl-D-aspartate agonist. It is a product of cysteine dioxygenase or CDO [EC 1. 13. 11. 20]. In humans cysteine catabolism is tightly regulated vi...

---

732. 3-Sulfinylpyruvic acid

Link: https://3d.nih.gov/entries/3DPX-005207

Description: 3-sulfinylpyruvic acid is a pyruvic acid compound having a 3-sulfinyl substituent. It has a role as a human metabolite and a mouse metabolite. It is a sulfur-containing carboxylic acid, an organosu...

---

733. 3-Ureidopropionic acid

Link: https://3d.nih.gov/entries/3DPX-005208

Description: N-carbamoyl-beta-alanine is a beta-alanine derivative that is propionic acid bearing a ureido group at position 3. It has a role as a metabolite and a mouse metabolite. It is functionally related t...

---

734. 3-Hydroxy-2-oxo-4-phosphonooxybutanoate

Link: https://3d.nih.gov/entries/3DPX-005209

Description: No description available

---

735. 3-Hydroxy-2-oxo-4-phosphonooxybutanoic acid

Link: https://3d.nih.gov/entries/3DPX-005210

Description: No description available

---

736. 3-Pyridinebutanoic acid

Link: https://3d.nih.gov/entries/3DPX-005211

Description: 3-Pyridinebutanoic acid is a member of pyridines.

---

737. 4-Amino-3-(1-carboxyethenoxy)cyclohexa-1,5-diene-1-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005212

Description: No description available

---

738. 5-amino-1H-imidazole-4-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005213

Description: 5-aminoimidazole-4-carboxylic acid is an imidazole-4-carboxylic acid compound having an amino substituent at the 5-position. It is an imidazole-4-carboxylic acid and an aminoimidazole.

---

739. 4-Aminobutanal

Link: https://3d.nih.gov/entries/3DPX-005214

Description: 4-aminobutanal is an omega-aminoaldehyde that is butanal in which one of the hydrogens of the terminal methyl group has been replaced by an amino group. It has a role as an Escherichia coli metabol...

---

740. gamma-Aminobutyric acid

Link: https://3d.nih.gov/entries/3DPX-005215

Description: Gamma-aminobutyric acid is a gamma-amino acid that is butanoic acid with the amino substituent located at C-4. It has a role as a signalling molecule, a human metabolite, a Saccharomyces cerevisiae...

---

741. 4-Carboxymethylenebut-2-en-4-olide

Link: https://3d.nih.gov/entries/3DPX-005216

Description: No description available

---

742. Tiformin

Link: https://3d.nih.gov/entries/3DPX-005217

Description: 4-guanidinobutanamide is a butanamide having a guanidino group at the 4-position. It is a member of guanidines and a member of butanamides. It is a conjugate base of a 4-guanidiniumylbutanamide(1+).

---

743. 4-Hydroxy-2-oxopentanoic acid

Link: https://3d.nih.gov/entries/3DPX-005218

Description: 4-hydroxy-2-oxopentanoic acid is a 2-oxo monocarboxylic acid and a 4-hydroxy monocarboxylic acid. It has a role as an Escherichia coli metabolite. It is functionally related to a valeric acid. It i...

---

744. 4-Hydroxybenzaldehyde

Link: https://3d.nih.gov/entries/3DPX-005219

Description: 4-hydroxybenzaldehyde is a hydroxybenzaldehyde that is benzaldehyde substituted with a hydroxy group at position C-4. It has a role as a plant metabolite, a mouse metabolite and an EC 1.14.17.1 (do...

---

745. 4-Hydroxyphenylacetic acid

Link: https://3d.nih.gov/entries/3DPX-005220

Description: 4-hydroxyphenylacetic acid is a monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a plant metabolite, a fungal...

---

746. (2~{s})-2-Cyano-{n},{n}-Dimethyl-3-[5-[3-[(1~{s},2~{r})-2-Methylcyclohexyl]-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl]furan-2-Yl]propanamide

Link: https://3d.nih.gov/entries/3DPX-020059

Description: No description available

---

747. ({z})-2-Cyano-{n},{n}-Dimethyl-3-[5-[3-[(1{s},2~{r})-2-Methylcyclohexyl]-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl]furan-2-Yl]prop-2-Enamide

Link: https://3d.nih.gov/entries/3DPX-020060

Description: No description available

---

748. 11-Amino-1-undecanethiol

Link: https://3d.nih.gov/entries/3DPX-020075

Description: No description available

---

749. Paspalinine

Link: https://3d.nih.gov/entries/3DPX-002009

Description: No description available

---

750. Hexad Ammiline Ammilide 2

Link: https://3d.nih.gov/entries/3DPX-020112

Description: Ammiline and Ammilide 2

---

751. SLU-2633

Link: https://3d.nih.gov/entries/3DPX-020113

Description: Anti-parasitic agent

---

752. CID 30412

Link: https://3d.nih.gov/entries/3DPX-020124

Description: No description available

---

753. Emp

Link: https://3d.nih.gov/entries/3DPX-020126

Description: Emp

---

754. Empag

Link: https://3d.nih.gov/entries/3DPX-020127

Description: Empag

---

755. B1

Link: https://3d.nih.gov/entries/3DPX-002015

Description: No description available

---

756. Trenbolone acetate

Link: https://3d.nih.gov/entries/3DPX-020156

Description: Trenbolone acetate is a steroid ester.

---

757. B2

Link: https://3d.nih.gov/entries/3DPX-002016

Description: No description available

---

758. Naltrexone

Link: https://3d.nih.gov/entries/3DPX-020161

Description: Naltrexone is an organic heteropentacyclic compound that is naloxone substituted in which the allyl group attached to the nitrogen is replaced by a cyclopropylmethyl group. A mu-opioid receptor ant...

---

759. (1R,9R,10S)-3-hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one

Link: https://3d.nih.gov/entries/3DPX-020162

Description: No description available

---

760. Test1

Link: https://3d.nih.gov/entries/3DPX-020164

Description: test

---

761. R

Link: https://3d.nih.gov/entries/3DPX-002017

Description: No description available

---

762. tert-Butylhydroquinone

Link: https://3d.nih.gov/entries/3DPX-020170

Description: 2-tert-butylhydroquinone is a member of the class of hydroquinones in which one of the ring hydrogens of hydroquinone is replaced by a tert-butyl group. It has a role as a food antioxidant.

---

763. CH2 = CH - CH = CH2

Link: https://3d.nih.gov/entries/3DPX-020173

Description: CH2 = CH - CH = CH2

---

764. blood group A trisaccharide

Link: https://3d.nih.gov/entries/3DPX-020174

Description: Alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp is a branched amino trisaccharide consisting of beta-D-galactose having an alpha-L-fucosyl residue at the 2-position and an N-acetyl-alpha-D...

---

765. 5-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethyl-2-(1-methylpiperidin-4-yl)benzamide

Link: https://3d.nih.gov/entries/3DPX-020178

Description: No description available

---

766. S

Link: https://3d.nih.gov/entries/3DPX-002018

Description: No description available

---

767. Betamethasone valerate

Link: https://3d.nih.gov/entries/3DPX-020182

Description: Betamethasone valerate is a steroid ester that is betamethasone in which the hydroxy group at the 17alpha position has been converted to the corresponding pentanoate ester. It has a role as an anti...

---

768. Diphosphomethylphosphonic acid adenosyl ester

Link: https://3d.nih.gov/entries/3DPX-020184

Description: Adenosine 5'-[alpha,beta-methylene]triphosphate is a nucleoside triphosphate analogue.

---

769. Alternariol monomethyl ether

Link: https://3d.nih.gov/entries/3DPX-020188

Description: Djalonensone is a benzochromenone that is alternariol in which the hydroxy group at position 9 has been converted into the corresponding methyl ether. A natural product found in Chaetomium globosum...

---

770. Alternariol

Link: https://3d.nih.gov/entries/3DPX-020189

Description: Alternariol is a benzochromenone that is 6H-benzo[c]chromen-6-one which is substituted by a methyl group at position 1 and by hydroxy groups at positions 3, 7, and 9. It is the most important mycot...

---

771. T

Link: https://3d.nih.gov/entries/3DPX-002019

Description: No description available

---

772. Deoxynivalenol

Link: https://3d.nih.gov/entries/3DPX-020190

Description: Deoxynivalenol is a trichothecene mycotoxin produced by Fusarium to which wheat, barley, maize (corn) and their products are susceptible to contamination. It has a role as a mycotoxin. It is a tric...

---

773. 12,13-Epoxy-3,4,7,15-tetrahydroxytrichothec-9-en-8-one

Link: https://3d.nih.gov/entries/3DPX-020191

Description: No description available

---

774. Aflatoxin G1

Link: https://3d.nih.gov/entries/3DPX-020192

Description: Aflatoxin G is a member of coumarins.

---

775. Deoxynivalenol 3-glucoside

Link: https://3d.nih.gov/entries/3DPX-020193

Description: Deoxynivalenol 3-glucoside is a trichothecene.

---

776. Ochratoxin A

Link: https://3d.nih.gov/entries/3DPX-020194

Description: Ochratoxin A is a phenylalanine derivative resulting from the formal condensation of the amino group of L-phenylalanine with the carboxy group of (3R)-5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-...

---

777. Tenuazonic acid

Link: https://3d.nih.gov/entries/3DPX-020195

Description: No description available

---

778. Sterigmatocystin

Link: https://3d.nih.gov/entries/3DPX-020196

Description: Sterigmatocystin is an organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins. I...

---

779. Sterigmatocystin

Link: https://3d.nih.gov/entries/3DPX-020197

Description: Sterigmatocystin is an organic heteropentacyclic compound whose skeleton comprises a xanthene ring system ortho-fused to a dihydrofuranofuran moiety. The parent of the class of sterigmatocystins. I...

---

780. Thiocane

Link: https://3d.nih.gov/entries/3DPX-020200

Description: No description available

---

781. Thiocan-4-ylideneoxidanium

Link: https://3d.nih.gov/entries/3DPX-020201

Description: No description available

---

782. Thiocan-4-one

Link: https://3d.nih.gov/entries/3DPX-020202

Description: No description available

---

783. Magnetic Folding DNA Model

Link: https://3d.nih.gov/entries/3DPX-002021

Description: Derived from Michael Kuiper's Folding DNA Model, these models have three changes; 1) The stick and hole mechanism for the hydrogen bonds has been replaced with a magnetic mechanism. 2) The ball and...

---

784. 12-Oxo-phytodienoic acid

Link: https://3d.nih.gov/entries/3DPX-020238

Description: (15Z)-12-oxophyto-10,15-dienoic acid is a carbocyclic fatty acid, an oxo carboxylic acid and an olefinic fatty acid. It is a conjugate acid of a (15Z)-12-oxophyto-10,15-dienoate.

---

785. calf20 3d model

Link: https://3d.nih.gov/entries/3DPX-020302

Description: this is a 3d model of CALF 20 from university of Cambridge database

---

786. Escitalopram oxalate

Link: https://3d.nih.gov/entries/3DPX-020319

Description: Escitalopram oxalate generated from SDF via PubChem

---

787. 3-(p-Chlorophenyl)-1-(2-imidazolin-2-yl)methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-2-one

Link: https://3d.nih.gov/entries/3DPX-020326

Description: No description available

---

788. Dronabinol

Link: https://3d.nih.gov/entries/3DPX-002034

Description: Delta(9)-tetrahydrocannabinol is a diterpenoid that is 6a,7,8,10a-tetrahydro-6H-benzo[c]chromene substituted at position 1 by a hydroxy group, positions 6, 6 and 9 by methyl groups and at position ...

---

789. Piperarborenine D

Link: https://3d.nih.gov/entries/3DPX-020341

Description: No description available

---

790. Eucommicin A

Link: https://3d.nih.gov/entries/3DPX-020342

Description: No description available

---

791. Chlorogenic Acid

Link: https://3d.nih.gov/entries/3DPX-020343

Description: Chlorogenic acid is a cinnamate ester obtained by formal condensation of the carboxy group of trans-caffeic acid with the 3-hydroxy group of quinic acid. It is an intermediate metabolite in the bio...

---

792. Coniferyl alcohol

Link: https://3d.nih.gov/entries/3DPX-020357

Description: Coniferol is a phenylpropanoid that is one of the main monolignols, produced by the reduction of the carboxy functional group in cinnamic acid and the addition of a hydroxy and a methoxy substituen...

---

793. p-Coumaryl alcohol

Link: https://3d.nih.gov/entries/3DPX-020358

Description: Trans-p-coumaryl alcohol is 4-Hydroxycinnamyl alcohol with E-configuration of the propenyl double bond. It is one of the main monolignols. It has a role as a monolignol. It is a phenylpropanoid, a ...

---

794. Sinapyl alcohol

Link: https://3d.nih.gov/entries/3DPX-020359

Description: Sinapyl alcohol is a primary alcohol, being cinnamyl alcohol hydroxylated at C-4 and methoxylated at C-3 and -5. It has a role as a plant metabolite. It is a primary alcohol, a member of phenols an...

---

795. Epitetracycline

Link: https://3d.nih.gov/entries/3DPX-020361

Description: No description available

---

796. 3-Hydroxyphencyclidine

Link: https://3d.nih.gov/entries/3DPX-020368

Description: No description available

---

797. Clonazepam

Link: https://3d.nih.gov/entries/3DPX-020369

Description: Clonazepam is 1,3-Dihydro-2H-1,4-benzodiazepin-2-one in which the hydrogens at positions 5 and 7 are substituted by 2-chlorophenyl and nitro groups, respectively. It is used in the treatment of all...

---

798. Clonidine

Link: https://3d.nih.gov/entries/3DPX-020370

Description: Clonidine (imino form) is a clonidine. It is a tautomer of a clonidine (amino form).

---

799. Tetrandrine

Link: https://3d.nih.gov/entries/3DPX-020377

Description: (+)-Tetrandrine is a member of isoquinolines and a bisbenzylisoquinoline alkaloid.

---

800. 1-Oxaspiro[3.5]nonane

Link: https://3d.nih.gov/entries/3DPX-020378

Description: 3D model of 1-Oxaspiro[3.5]nonane

---

801. Cyclohexane

Link: https://3d.nih.gov/entries/3DPX-020382

Description: Cyclohexane is an alicyclic hydrocarbon comprising a ring of six carbon atoms; the cyclic form of hexane, used as a raw material in the manufacture of nylon. It has a role as a non-polar solvent. I...

---

802. Elinzanetant

Link: https://3d.nih.gov/entries/3DPX-020401

Description: No description available

---

803. Deucrictibant

Link: https://3d.nih.gov/entries/3DPX-020444

Description: No description available

---

804. 2-Amino-2-methyl-1-propanol

Link: https://3d.nih.gov/entries/3DPX-020474

Description: No description available

---

805. HVO_1359

Link: https://3d.nih.gov/entries/3DPX-020480

Description: CPxCG-like Zinc Finger Protein from H.volcanii

---

806. HVO_2248

Link: https://3d.nih.gov/entries/3DPX-020482

Description: uncharacterized protein from Haloferax volcanii

---

807. hvo_1358

Link: https://3d.nih.gov/entries/3DPX-020485

Description: Response regulator, h.volcanii

---

808. hvo_1356

Link: https://3d.nih.gov/entries/3DPX-020486

Description: histidine kinase, h.volcanii

---

809. hvo_1357

Link: https://3d.nih.gov/entries/3DPX-020487

Description: hvo_1357, response regulator, h.volcanii

---

810. Furamidine (PRMT1 inhibitor)

Link: https://3d.nih.gov/entries/3DPX-020490

Description: Molecular stick model of the PRMT1 inhibitor furamidine.

---

811. Paraquat

Link: https://3d.nih.gov/entries/3DPX-020518

Description: Paraquat is an organic cation that consists of 4,4'-bipyridine bearing two N-methyl substituents loctated at the 1- and 1'-positions. It has a role as a herbicide and a geroprotector. It derives fr...

---

812. lambda-CYHALOTHRIN

Link: https://3d.nih.gov/entries/3DPX-020519

Description: (1S)-cis-(alphaR)-cyhalothrin is a cyclopropanecarboxylate ester.

---

813. 4,4'-Diphenylmethane diisocyanate

Link: https://3d.nih.gov/entries/3DPX-020520

Description: Diphenylmethane-4,4'-diisocyanate is a diisocyanate consisting of diphenylmethane with two isocyanate groups at the 4- and 4'-positions. It has a role as a hapten and an allergen. It derives from a...

---

814. 2,4-Diisocyanato-1-methylbenzene

Link: https://3d.nih.gov/entries/3DPX-020521

Description: Toluene 2,4-diisocyanate is a toluene meta-diisocyanate in which the isocyanato groups are at positions 2 and 4 relative to the methyl group on the benzene ring. It has a role as a hapten and an al...

---

815. Force

Link: https://3d.nih.gov/entries/3DPX-020522

Description: (Z)-(1S)-cis-tefluthrin is a 2,3,5,6-tetrafluoro-4-methylbenzyl 3-[(1Z)-2-chloro-3,3,3-trifluoroprop-1-en-1-yl]-2,2-dimethylcyclopropanecarboxylate in which both of the stereocentres have S configu...

---

816. Cypermethrin

Link: https://3d.nih.gov/entries/3DPX-020523

Description: Cypermethrin is a carboxylic ester resulting from the formal condensation between 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylic acid and the alcoholic hydroxy group of hydroxy(3-phenoxyp...

---

817. Citrulline

Link: https://3d.nih.gov/entries/3DPX-020531

Description: L-citrulline is the L-enantiomer of citrulline. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a protective agent, a nutraceutical, a micronutrient, a human metabolite, an Esc...

---

818. Taurine

Link: https://3d.nih.gov/entries/3DPX-020532

Description: Taurine is an amino sulfonic acid that is the 2-amino derivative of ethanesulfonic acid. It is a naturally occurring amino acid derived from methionine and cysteine metabolism. An abundant componen...

---

819. Pseudoephedrine

Link: https://3d.nih.gov/entries/3DPX-020533

Description: Pseudoephedrine is a member of the class of the class of phenylethanolamines that is (1S)-2-(methylamino)-1-phenylethan-1-ol in which the pro-S hydrogen at position 2 is replaced by a methyl group....

---

820. 4-Bromo-2,5-dimethoxyphenethylamine

Link: https://3d.nih.gov/entries/3DPX-020550

Description: 2,5-dimethoxy-4-bromophenethylamine is a 2-arylethylamine compound where the aryl moiety is 4-bromo-2,5-dimethoxyphenyl.

---

821. 6,6,9-Trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol

Link: https://3d.nih.gov/entries/3DPX-020557

Description: 6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol is a 1-benzopyran.

---

822. alpha-GalCer

Link: https://3d.nih.gov/entries/3DPX-002057

Description: No description available

---

823. Fluorescein diacetate

Link: https://3d.nih.gov/entries/3DPX-020571

Description: No description available

---

824. Fluorescein

Link: https://3d.nih.gov/entries/3DPX-020572

Description: Fluorescein (lactone form) is a xanthene dye that is highly fluorescent, detectable even when present in minute quantities. Used forensically to detect traces of blood, in analytical chemistry as a...

---

825. CID 12090389

Link: https://3d.nih.gov/entries/3DPX-020580

Description: No description available

---

826. Axelopran

Link: https://3d.nih.gov/entries/3DPX-020582

Description: No description available

---

827. (4R,5S)-Isocycloseram

Link: https://3d.nih.gov/entries/3DPX-020583

Description: (4R,5S)-isocycloseram is the (4R,5S)-stereoisomer of isocycloseram.

---

828. 7-Hydroxycannabidiol

Link: https://3d.nih.gov/entries/3DPX-020584

Description: 7-hydroxycannabidiol is a hydroxy-cannabidiol that is cannabidiol in which the methyl group that is attached to the double bond of the cyclohexene ring has been oxidised to the corresponding hydrox...

---

829. Abn-cbd

Link: https://3d.nih.gov/entries/3DPX-020585

Description: No description available

---

830. Ensitrelvir

Link: https://3d.nih.gov/entries/3DPX-020594

Description: No description available

---

831. Cyclobutrifluram, (R)-

Link: https://3d.nih.gov/entries/3DPX-020612

Description: (R,R)-cyclobutrifluram is a N-[2-(2,4-dichlorophenyl)cyclobutyl]-2-(trifluoromethyl)pyridine-3-carboxamide that has 1R,2R-configuration. It is an enantiomer of a (S,S)-cyclobutrifluram.

---

832. Sebacic Acid

Link: https://3d.nih.gov/entries/3DPX-020622

Description: Sebacic acid is an alpha,omega-dicarboxylic acid that is the 1,8-dicarboxy derivative of octane. It has a role as a human metabolite and a plant metabolite. It is an alpha,omega-dicarboxylic acid a...

---

833. Dibenzosuberol

Link: https://3d.nih.gov/entries/3DPX-020645

Description: No description available

---

834. Propan-2-yl 6-(4-ethoxyphenyl)-4-methoxypyridine-2-carboxylate

Link: https://3d.nih.gov/entries/3DPX-020690

Description: No description available

---

835. 2-[3-(4-Propylphenyl)phenyl]ethanol

Link: https://3d.nih.gov/entries/3DPX-020694

Description: No description available

---

836. N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

Link: https://3d.nih.gov/entries/3DPX-020695

Description: No description available

---

837. 2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[3,2-d]pyrimidine

Link: https://3d.nih.gov/entries/3DPX-020711

Description: No description available

---

838. azoBF2

Link: https://3d.nih.gov/entries/3DPX-020717

Description: visible light activated azo switch

---

839. lighthydrazone

Link: https://3d.nih.gov/entries/3DPX-020718

Description: a new family of hydrazone-based photoswitch

---

840. pHhydrazone

Link: https://3d.nih.gov/entries/3DPX-020719

Description: a pH-responsive configurational switch

---

841. Corannulene

Link: https://3d.nih.gov/entries/3DPX-020721

Description: No description available

---

842. 2-Acetamidopyridine

Link: https://3d.nih.gov/entries/3DPX-020722

Description: No description available

---

843. 2,2-Dimethyl-N-pyridin-2-yl-propionamide

Link: https://3d.nih.gov/entries/3DPX-020723

Description: No description available

---

844. Perfluorobutanesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-020724

Description: Perfluorobutanesulfonic acid is a perfluoroalkanesulfonic acid that is butane-1-sulfonic acid in which all of the hydrogens of the butyl group have been replaced by fluorines. It has a role as a su...

---

845. Isotactic Polypropylene 15 mer

Link: https://3d.nih.gov/entries/3DPX-020727

Description: https://pslc.ws/macrog/pp.htm

---

846. Captopril

Link: https://3d.nih.gov/entries/3DPX-020741

Description: Captopril is a L-proline derivative in which L-proline is substituted on nitrogen with a (2S)-2-methyl-3-sulfanylpropanoyl group. It is used as an anti-hypertensive ACE inhibitor drug. It has a rol...

---

847. Tropodithietic acid

Link: https://3d.nih.gov/entries/3DPX-020748

Description: Tropodithietic acid is a monocarboxylic acid that is 8,9-dithiabicyclo[5.2.0]nona-1,3,6-triene substituted by a carboxy group at position 2 and an oxo group at position 3. It is a broad spectrum an...

---

848. Atenolol

Link: https://3d.nih.gov/entries/3DPX-020750

Description: Atenolol is an ethanolamine compound having a (4-carbamoylmethylphenoxy)methyl group at the 1-position and an N-isopropyl substituent. It has a role as a beta-adrenergic antagonist, an anti-arrhyth...

---

849. Elinogrel

Link: https://3d.nih.gov/entries/3DPX-020752

Description: No description available

---

850. Elinogrel Predicted Binding Pose to the P2Y12 Receptor

Link: https://3d.nih.gov/entries/3DPX-020757

Description: Binding pose of Elinogrel to the P2Y12 receptor predicted by SWISS-DOCK.

---

851. Sultamicillin

Link: https://3d.nih.gov/entries/3DPX-020758

Description: Sultamicillin is a penicillanic acid ester. It is functionally related to an ampicillin and a sulbactam.

---

852. cephalosporin C

Link: https://3d.nih.gov/entries/3DPX-020759

Description: Cephalosporin C is a cephalosporin antibiotic carrying a 3-acetoxymethyl substituent and a 6-oxo-N(6)-L-lysino group at position 7. It has a role as a fungal metabolite. It is functionally related ...

---

853. 4-Aminobenzoic acid

Link: https://3d.nih.gov/entries/3DPX-020760

Description: 4-aminobenzoic acid is an aminobenzoic acid in which the amino group is para to the carboxy group. It has a role as an Escherichia coli metabolite, a plant metabolite and an allergen. It is functio...

---

854. Chlorflurazole

Link: https://3d.nih.gov/entries/3DPX-020766

Description: No description available

---

855. Caffeine

Link: https://3d.nih.gov/entries/3DPX-020801

Description: Structure of Caffeine

---

856. Ball and Stick Structure of 1,2-Di(pyridin-4-yl)ethyne

Link: https://3d.nih.gov/entries/3DPX-020802

Description: This upload is for a project for polymer science lab

---

857. Dopamine

Link: https://3d.nih.gov/entries/3DPX-020803

Description: DopamineChemical Formula C8H11NO2

---

858. MorganWilliams_EthyleneGlycol

Link: https://3d.nih.gov/entries/3DPX-020806

Description: .SDF file of ethylene glycol

---

859. S-[2-(Diisopropylamino)ethyl] o-methyl methylphosphonothioate

Link: https://3d.nih.gov/entries/3DPX-020812

Description: No description available

---

860. 2,4-Dibromophenyl acetate

Link: https://3d.nih.gov/entries/3DPX-020816

Description: No description available

---

861. 1,3,7,9-Tetrathiaspiro[5.5]undecane

Link: https://3d.nih.gov/entries/3DPX-020845

Description: No description available

---

862. Cu4(m-pbpr)4(C60)

Link: https://3d.nih.gov/entries/3DPX-020850

Description: Copper molecular square with bound fullerene. "Square" is ca. 14 Å in diameter.

---

863. Drospirenone

Link: https://3d.nih.gov/entries/3DPX-020879

Description: Drospirenone is a steroid lactone and a 3-oxo-Delta(4) steroid. It has a role as a contraceptive drug, an aldosterone antagonist and a progestin.

---

864. Leucomethylene blue

Link: https://3d.nih.gov/entries/3DPX-020912

Description: Leucomethylene blue is a member of the class of phenothiazines that is 10H-phenothiazine in which the ring hydrogens at positions 3 and 7 have been replaced by dimethylamino groups. It has a role a...

---

865. Phenelzine

Link: https://3d.nih.gov/entries/3DPX-020916

Description: Phenelzine is a primary amine.

---

866. Uridine-5'-diphosphate-glucose

Link: https://3d.nih.gov/entries/3DPX-020923

Description: UDP-alpha-D-glucose is the alpha-anomer of UDP-alpha-D-glucose. It is used in nucleotide sugars metabolism. It has a role as a fundamental metabolite. It is a conjugate acid of an UDP-alpha-D-gluco...

---

867. HPB-COF monolayer

Link: https://3d.nih.gov/entries/3DPX-020946

Description: A monolayer version of the HPB-COF unit cell for membrane visualization.

---

868. Amitraz

Link: https://3d.nih.gov/entries/3DPX-020953

Description: Amitraz is a tertiary amino compound that is 1,3,5-triazapenta-1,4-diene substituted by a methyl group at position 3 and 2,4-dimethylphenyl groups at positions 1 and 5. It has a role as an acaricid...

---

869. 1-(2,5-Dimethoxy-4-methylphenyl)butan-2-amine

Link: https://3d.nih.gov/entries/3DPX-021029

Description: No description available

---

870. 4-Chloroindole-3-acetic acid

Link: https://3d.nih.gov/entries/3DPX-021031

Description: 4-chloroindole-3-acetic acid is a chloroindole-3-acetic acid. It has a role as an auxin.

---

871. Sotorasib v2

Link: https://3d.nih.gov/entries/3DPX-021042

Description: Corrected molecule

---

872. 4,4'-Sulfonyldiphenol

Link: https://3d.nih.gov/entries/3DPX-021045

Description: 4,4'-sulfonyldiphenol is a sulfone that is diphenyl sulfone in which both of the para hydrogens have been replaced by hydroxy groups. It has a role as a metabolite and an endocrine disruptor. It is...

---

873. 2,5-Dimethoxy-4-methylbenzaldehyde

Link: https://3d.nih.gov/entries/3DPX-021046

Description: No description available

---

874. Amino acids in different representations

Link: https://3d.nih.gov/entries/3DPX-021049

Description: 4 amino acids (L-Glycine - green, L-Tryptophan - red, L-Proline - blue, L-Arginine - yellow) in different representations. Models were created the Biochemistry and Structural Biology class in order...

---

875. Nucleotides in different representations

Link: https://3d.nih.gov/entries/3DPX-021050

Description: 4 nucleotides (Deoxy-cytosine - green, deoxy-thymine - red, guanine - blue, and uracil yellow) in different representations. Models were created for the Biochemistry and Structural Biology class to...

---

876. 6-Sulfatoxymelatonin

Link: https://3d.nih.gov/entries/3DPX-021053

Description: 6-sulfatoxymelatonin is a member of acetamides.

---

877. Domoic acid

Link: https://3d.nih.gov/entries/3DPX-021071

Description: Domoic acid is an L-proline derivative that is L-proline substituted by a carboxymethyl group at position 3 and a 6-carboxyhepta-2,4-dien-2-yl group at position 4. It is produced by the diatomic al...

---

878. Nitroaspirin

Link: https://3d.nih.gov/entries/3DPX-021074

Description: 2-acetyloxybenzoic acid [3-(nitrooxymethyl)phenyl] ester is a carbonyl compound.

---

879. Isodomoic acid E

Link: https://3d.nih.gov/entries/3DPX-021076

Description: No description available

---

880. Brassinolide

Link: https://3d.nih.gov/entries/3DPX-021081

Description: Brassinolide is a 2alpha-hydroxy steroid, a 3alpha-hydroxy steroid, a 22-hydroxy steroid, a 23-hydroxy steroid and a brassinosteroid. It has a role as a plant growth stimulator and a plant hormone.

---

881. Ethephon

Link: https://3d.nih.gov/entries/3DPX-021082

Description: (2-chloroethyl)phosphonic acid is a phosphonic acid compound having a 2-chloroethyl substituent attached to the P-atom. It has a role as a plant growth regulator.

---

882. Gibberellin A1

Link: https://3d.nih.gov/entries/3DPX-021083

Description: Gibberellin A1 is a C19-gibberellin, initially identified in Gibberella fujikuroi. It has a role as a plant metabolite. It is a lactone, a gibberellin monocarboxylic acid and a C19-gibberellin. It ...

---

883. Kinetin

Link: https://3d.nih.gov/entries/3DPX-021084

Description: Kinetin is a member of the class of 6-aminopurines that is adenine carrying a (furan-2-ylmethyl) substituent at the exocyclic amino group. It has a role as a geroprotector and a cytokinin. It is a ...

---

884. trans-Zeatin

Link: https://3d.nih.gov/entries/3DPX-021085

Description: Zeatin is a 6-isopentenylaminopurine. It has a role as a cytokinin.

---

885. 3-Indolepropionic acid

Link: https://3d.nih.gov/entries/3DPX-021086

Description: 3-(1H-indol-3-yl)propanoic acid is an indol-3-yl carboxylic acid that is propionic acid substituted by a 1H-indol-3-yl group at position 3. It has a role as an auxin, a human metabolite and a plant...

---

886. 1,2-Dichloroethylene

Link: https://3d.nih.gov/entries/3DPX-021102

Description: No description available

---

887. Welwitindolinone

Link: https://3d.nih.gov/entries/3DPX-021116

Description: Welwitindolinone isonitrile

---

888. Cubane-methylammonium@cucurbit[6]uril

Link: https://3d.nih.gov/entries/3DPX-021123

Description: Complex of methylammoniumcubane and cucurbit[6]uril

---

889. (6R,7R)-tricyclo[3.2.0.02,7]hept-3-ene-6,7-dicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-021134

Description: No description available

---

890. (2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)propanamide

Link: https://3d.nih.gov/entries/3DPX-021141

Description: No description available

---

891. 3-[4-(Diethylamino)-2-hydroxyphenyl]-2-methylprop-2-enoic acid

Link: https://3d.nih.gov/entries/3DPX-021142

Description: No description available

---

892. (R)-Ketamine

Link: https://3d.nih.gov/entries/3DPX-021146

Description: (R)-ketamine is the R- (less active) enantiomer of ketamine. It has a role as an intravenous anaesthetic, an analgesic and a NMDA receptor antagonist. It is an enantiomer of an esketamine.

---

893. Guanosine

Link: https://3d.nih.gov/entries/3DPX-021156

Description: Guanosine is a purine nucleoside in which guanine is attached to ribofuranose via a beta-N(9)-glycosidic bond. It has a role as a fundamental metabolite. It is a purines D-ribonucleoside and a memb...

---

894. Bromophenol Blue

Link: https://3d.nih.gov/entries/3DPX-021163

Description: School Project

---

895. Benzyl Violgen

Link: https://3d.nih.gov/entries/3DPX-021164

Description: School Project

---

896. 9-[2-(Dicyclohexylphosphino)phenyl]-9H-carbazole

Link: https://3d.nih.gov/entries/3DPX-021174

Description: No description available

---

897. Benzo[b]naphtho[1′,8′:5,6,7]cyclohepta[1,2-g]benzofuran

Link: https://3d.nih.gov/entries/3DPX-021175

Description: A heptagon-embbed molecule reported in "Regioselective Synthesis of Polycyclic and Heptagon-embedded Aromatic Compounds through a Versatile π-Extension of Aryl Halides" W. C. Fu, Z. Wang, W. T. K. ...

---

898. Oxidative addition complex of Pd and PhenCar-Phos

Link: https://3d.nih.gov/entries/3DPX-021176

Description: Oxidative addition complex reported in Organometallics 2016, 35, 10, 1553–1558

---

899. tBu-PhenCar-Phos

Link: https://3d.nih.gov/entries/3DPX-021181

Description: tBu-PhenCar-Phos

---

900. Ramipril

Link: https://3d.nih.gov/entries/3DPX-021195

Description: Ramipril is a dipeptide that is the prodrug for ramiprilat, the active metabolite obtained by hydrolysis of the ethyl ester group. An angiotensin-converting enzyme (ACE) inhibitor, used to treat hi...

---

901. Amlodipine

Link: https://3d.nih.gov/entries/3DPX-021196

Description: Amlodipine is a fully substituted dialkyl 1,4-dihydropyridine-3,5-dicarboxylate derivative, which is used for the treatment of hypertension, chronic stable angina and confirmed or suspected vasospa...

---

902. Tetraxetan

Link: https://3d.nih.gov/entries/3DPX-021205

Description: DOTA is an azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group. It has a role as a chelator and a copper ...

---

903. Isocycloseram

Link: https://3d.nih.gov/entries/3DPX-021211

Description: Isocycloseram is a diastereoisomeric mixture containing containing 80-100% of the (4R,5S)-isomer and 0-20% of (4R,5R)-,(4S,5R)-, and (4S,5S)-isomers. It is a broad-spectrum insecticide and acaricid...

---

904. 2-Hydroxybenzenepropanoic acid

Link: https://3d.nih.gov/entries/3DPX-021222

Description: 3-(2-hydroxyphenyl)propanoic acid is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 3 is substituted by a 2-hydroxyphenyl group. It has a role as a human xen...

---

905. 3,4-Dihydrocoumarin

Link: https://3d.nih.gov/entries/3DPX-021223

Description: 3,4-dihydrocoumarin is a chromanone that is the 3,4-dihydro derivative of coumarin. It has a role as a plant metabolite. It is functionally related to a coumarin.

---

906. Phenylacetic Acid

Link: https://3d.nih.gov/entries/3DPX-021224

Description: Phenylacetic acid is a monocarboxylic acid that is toluene in which one of the hydrogens of the methyl group has been replaced by a carboxy group. It has a role as a toxin, a human metabolite, an E...

---

907. 2,4-Dichlorophenoxyacetic acid

Link: https://3d.nih.gov/entries/3DPX-021225

Description: 2,4-D is a chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2 and 4 are substituted by chlorines. It has a role as a synthetic auxin, a defoliant, an agro...

---

908. cis-Cinnamic acid

Link: https://3d.nih.gov/entries/3DPX-021226

Description: Cis-cinnamic acid is the Z (cis) isomer of cinnamic acid It is a conjugate acid of a cis-cinnamate.

---

909. Cinnamic Acid

Link: https://3d.nih.gov/entries/3DPX-021227

Description: Cinnamic acid is a monocarboxylic acid that consists of acrylic acid bearing a phenyl substituent at the 3-position. It is found in Cinnamomum cassia. It has a role as a plant metabolite. It is a m...

---

910. 2-Hydroxycinnamic acid, (2E)-

Link: https://3d.nih.gov/entries/3DPX-021228

Description: 2-coumaric acid is a monohydroxycinnamic acid in which the hydroxy substituent is located at C-2 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 2-coumarate.

---

911. DL-3-Carboxytyrosine

Link: https://3d.nih.gov/entries/3DPX-021230

Description: No description available

---

912. Scopoletin

Link: https://3d.nih.gov/entries/3DPX-021231

Description: Scopoletin is a hydroxycoumarin that is umbelliferone bearing a methoxy substituent at position 6. It has a role as a plant growth regulator and a plant metabolite. It is functionally related to an...

---

913. 4-Acetamido-5-hydroxy-6-phenyldiazenylnaphthalene-1,7-disulfonic acid

Link: https://3d.nih.gov/entries/3DPX-021235

Description: No description available

---

914. (2S)-3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfopropyl)phenoxy]propane-1-sulfonic acid

Link: https://3d.nih.gov/entries/3DPX-021236

Description: No description available

---

915. Dehydrodiconiferyl alcohol

Link: https://3d.nih.gov/entries/3DPX-021237

Description: Dehydrodiconiferyl alcohol is a guaiacyl lignin obtained by cyclodimerisation of coniferol. It has a role as a plant metabolite and an anti-inflammatory agent. It is a member of 1-benzofurans, a pr...

---

916. DN4T

Link: https://3d.nih.gov/entries/3DPX-021242

Description: DN4T moleculenaphtho[2,3-b]thieno-[2′′′,3′′′:4′′,5′′]thieno[2″,3″:4′,5′]thieno[3′,2′-b]naphtho[2,3-b]thiophene

---

917. isoDN4T

Link: https://3d.nih.gov/entries/3DPX-021243

Description: isoDN4T moleculenaphtho[1,2-b]thieno-[2′′′,3′′′:4′′,5′′]thieno[2′′,3′′:4′,5′]thieno[3′,2′-b]naphtho[1,2-b]thiophene

---

918. Roflumilast

Link: https://3d.nih.gov/entries/3DPX-021244

Description: Roflumilast is a benzamide obtained by formal condensation of the carboxy group of 3-(cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid with the amino group of 3,5-dichloropyridin-4-amine. Used f...

---

919. Ectoine

Link: https://3d.nih.gov/entries/3DPX-021246

Description: Ectoine is a carboxamidine heterocycle obtained by formal condensation of (2S)-2,4-diaminobutanoic acid with acetic acid. It has a role as an osmolyte. It is a carboxamidine, a member of 1,4,5,6-te...

---

920. Hydroxyectoine

Link: https://3d.nih.gov/entries/3DPX-021247

Description: 5-hydroxyectoine is a carboxamidine heterocycle which is obtained by formal condensation of 4-amino-L-allothreonine with acetic acid. It is a carboxamidine, a secondary alcohol, a member of 1,4,5,6...

---

921. Lutein

Link: https://3d.nih.gov/entries/3DPX-021248

Description: Lutein is a carotenol. It has a role as a food colouring and a plant metabolite. It derives from a hydride of a (6'R)-beta,epsilon-carotene.

---

922. Salicylamide

Link: https://3d.nih.gov/entries/3DPX-021272

Description: Salicylamide is the simplest member of the class of salicylamides derived from salicylic acid. It has a role as a non-narcotic analgesic and an antirheumatic drug. It is a member of salicylamides a...

---

923. 1-(5-Chloro-2-methylphenyl)-5-phenyltetrazole

Link: https://3d.nih.gov/entries/3DPX-021277

Description: No description available

---

924. [(1R,2R)-2-(benzylamino)cyclohexyl]methanol

Link: https://3d.nih.gov/entries/3DPX-021278

Description: No description available

---

925. Aloesin

Link: https://3d.nih.gov/entries/3DPX-021283

Description: Aloesin is a member of chromones.

---

926. Dibenzo(c,g)phenanthrene

Link: https://3d.nih.gov/entries/3DPX-021290

Description: No description available

---

927. Salvinorin A

Link: https://3d.nih.gov/entries/3DPX-021293

Description: Salvinorin A is an organic heterotricyclic compound and an organooxygen compound. It has a role as a metabolite and a oneirogen.

---

928. 4-phenyl-2-(3-azidopropyl)cyclohexanone

Link: https://3d.nih.gov/entries/3DPX-021303

Description: This is a small molecule that I worked on for my research.

---

929. Chl a from 1RWT-CA-A-611

Link: https://3d.nih.gov/entries/3DPX-021309

Description: Chl a from 1RWT-CA-A-611

---

930. Chl b from 1RWT-SF-H-609

Link: https://3d.nih.gov/entries/3DPX-021310

Description: Chl b from 1RWT-SF-H-609

---

931. PET chemical structure

Link: https://3d.nih.gov/entries/3DPX-021327

Description: ball and stick 3D structure

---

932. Adagrasib

Link: https://3d.nih.gov/entries/3DPX-021328

Description: No description available

---

933. Levulinic acid

Link: https://3d.nih.gov/entries/3DPX-021329

Description: 4-oxopentanoic acid is an oxopentanoic acid with the oxo group in the 4-position. It has a role as a plant metabolite. It is a straight-chain saturated fatty acid and an oxopentanoic acid. It is a ...

---

934. 2-(4-Cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2,2,2-trifluoroethyl)purin-8-imine

Link: https://3d.nih.gov/entries/3DPX-021335

Description: No description available

---

935. Saruparib

Link: https://3d.nih.gov/entries/3DPX-021336

Description: No description available

---

936. Polyethylene blocks

Link: https://3d.nih.gov/entries/3DPX-021342

Description: Polyethylene blocks with three repeat units

---

937. Polypropylene block

Link: https://3d.nih.gov/entries/3DPX-021343

Description: Polypropylene block with two repeat units

---

938. Polystyrene Block

Link: https://3d.nih.gov/entries/3DPX-021344

Description: Polystyrene Block with one repeat unit

---

939. PVC block

Link: https://3d.nih.gov/entries/3DPX-021345

Description: PVC block with two repeat units

---

940. Nylon 6 block

Link: https://3d.nih.gov/entries/3DPX-021346

Description: Nylon 6 block

---

941. N,N'-diacetylchitobiose

Link: https://3d.nih.gov/entries/3DPX-021347

Description: N,N'-diacetylchitobiose is the N,N'-diacetylated derivative of chitobiose, but with no stereodesignation for the anomeric carbon atom. It has a role as a human metabolite, an Escherichia coli metab...

---

942. Bicyclo[1.1.1]pentane

Link: https://3d.nih.gov/entries/3DPX-021349

Description: No description available

---

943. Cyclobrassinin

Link: https://3d.nih.gov/entries/3DPX-021355

Description: CYCLOBRASSININ105748-58-1CyclobrassinineB98CHW7GLP

---

944. Mepivacaine

Link: https://3d.nih.gov/entries/3DPX-021362

Description: Mepivacaine is a piperidinecarboxamide in which N-methylpipecolic acid and 2,6-dimethylaniline have combined to form the amide bond. It is used as a local amide-type anaesthetic. It has a role as a...

---

945. Phosphoric Acid

Link: https://3d.nih.gov/entries/3DPX-021363

Description: Phosphoric acid is a phosphorus oxoacid that consists of one oxo and three hydroxy groups joined covalently to a central phosphorus atom. It has a role as a solvent, a human metabolite, an algal me...

---

946. 4,4,6-Trimethyl-2-phenylamino-5,6-dihydro-4H-1,3-thiazine

Link: https://3d.nih.gov/entries/3DPX-021364

Description: No description available

---

947. Sulfur tetrafluoride

Link: https://3d.nih.gov/entries/3DPX-021365

Description: Sulfur tetrafluoride is a sulfur coordination entity.

---

948. Hypochlorite ion

Link: https://3d.nih.gov/entries/3DPX-021366

Description: Hypochlorite is a chlorine oxoanion, a chlorine oxide and a monovalent inorganic anion. It is a conjugate base of a hypochlorous acid.

---

949. Cubane

Link: https://3d.nih.gov/entries/3DPX-021367

Description: Cubane is a polyhedrane.

---

950. Nitrogen trifluoride

Link: https://3d.nih.gov/entries/3DPX-021368

Description: Nitrogen trifluoride is a nitrogen halide.

---

951. Oxygen difluoride

Link: https://3d.nih.gov/entries/3DPX-021369

Description: Oxygen difluoride is an oxygen halide.

---

952. N-Acetyl-Neuraminic Acid

Link: https://3d.nih.gov/entries/3DPX-021389

Description: N-acetylneuraminic acid is an N-acylneuraminic acid where the N-acyl group is specified as acetyl. It has a role as an antioxidant, an EC 3.2.1.18 (exo-alpha-sialidase) inhibitor, a bacterial metab...

---

953. N-Acetylglucosamine

Link: https://3d.nih.gov/entries/3DPX-021390

Description: Aldehydo-N-acetyl-D-glucosamine is the open-chain form of N-acetyl-D-glucosamine. It has a role as a human metabolite.

---

954. Orotic acid

Link: https://3d.nih.gov/entries/3DPX-021391

Description: Orotic acid is a pyrimidinemonocarboxylic acid that is uracil bearing a carboxy substituent at position C-6. It has a role as a metabolite, an Escherichia coli metabolite and a mouse metabolite. It...

---

955. Wybutosine

Link: https://3d.nih.gov/entries/3DPX-021393

Description: Wybutosine is a nucleoside analogue having methyl (2S)-4-(4,6-dimethyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)-2-[(methoxycarbonyl)amino]butanoate as the modified nucleobase. It is a nucleos...

---

956. N-Benzoyl-L-methionine

Link: https://3d.nih.gov/entries/3DPX-021418

Description: No description available

---

957. ATP

Link: https://3d.nih.gov/entries/3DPX-001683

Description: No description available

---

958. Pectin

Link: https://3d.nih.gov/entries/3DPX-016839

Description: No description available

---

959. Pectin

Link: https://3d.nih.gov/entries/3DPX-016840

Description: No description available

---

960. [[(2R,3S,4R,5R)-5-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-2-[[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl]oxy-oxidophosphoryl] phosphate

Link: https://3d.nih.gov/entries/3DPX-001687

Description: Guanosine 5'-diphosphate 2'(3')-diphosphate. A guanine nucleotide containing four phosphate groups. Two phosphate groups are esterified to the sugar moiety in the 5' position and the other two in t...

---

961. Triphenylene

Link: https://3d.nih.gov/entries/3DPX-016873

Description: Triphenylene is an ortho-fused polycyclic arene consisting of four fused benzene rings.

---

962. 2,4,6-Tribromphenol

Link: https://3d.nih.gov/entries/3DPX-016874

Description: No description available

---

963. Methylamine

Link: https://3d.nih.gov/entries/3DPX-016893

Description: Methylamine is the simplest of the methylamines, consisting of ammonia bearing a single methyl substituent. It has a role as a mouse metabolite. It is a primary aliphatic amine, a one-carbon compou...

---

964. First Print

Link: https://3d.nih.gov/entries/3DPX-016921

Description: This is a test of a simple multiring molecue

---

965. Dart Frog Toxin

Link: https://3d.nih.gov/entries/3DPX-016922

Description: No description available

---

966. Vardenafil

Link: https://3d.nih.gov/entries/3DPX-016957

Description: Vardenafil is the sulfonamide resulting from formal condensation of the sulfo group of 4-ethoxy-3-(5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one-2-yl)benzenesulfonic acid and the secondar...

---

967. TbPc2_single_molecule

Link: https://3d.nih.gov/entries/3DPX-016958

Description: This is a single molecule of TbPc2, which is also referred to as a single-molecule magnet. Our lab has been trying to explore the atomic scale properties for many years. My email: wzpsama@gmail.com...

---

968. Science for Emily

Link: https://3d.nih.gov/entries/3DPX-016961

Description: No description available

---

969. Metano prova

Link: https://3d.nih.gov/entries/3DPX-016964

Description: No description available

---

970. 2-Methoxyethyl 4-acetylbenzoate

Link: https://3d.nih.gov/entries/3DPX-016968

Description: Polyester polymers formed from terephthalic acid or its esters and ethylene glycol. They can be formed into tapes, films or pulled into fibers that are pressed into meshes or woven into fabrics.

---

971. Hexaphene

Link: https://3d.nih.gov/entries/3DPX-016970

Description: Hexaphene is an ortho-fused polycyclic arene.

---

972. NSP10-2

Link: https://3d.nih.gov/entries/3DPX-016973

Description: No description available

---

973. 3,6-diamino-9-(2,5-dicarboxyphenyl)-4,5-disulfo-Xanthylium

Link: https://3d.nih.gov/entries/3DPX-016981

Description: No description available

---

974. chloroform

Link: https://3d.nih.gov/entries/3DPX-016987

Description: No description available

---

975. alkyl halides

Link: https://3d.nih.gov/entries/3DPX-016988

Description: No description available

---

976. N-[[2-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]butanamide

Link: https://3d.nih.gov/entries/3DPX-016989

Description: No description available

---

977. Iodocyclohexane

Link: https://3d.nih.gov/entries/3DPX-016990

Description: No description available

---

978. 2-Bromopropane

Link: https://3d.nih.gov/entries/3DPX-016991

Description: No description available

---

979. 1-Chlorobutane

Link: https://3d.nih.gov/entries/3DPX-016992

Description: Butyl chloride appears as a water white liquid with a sharp odor. Flash point 20°F. Boiling point 77-78°C (173°F). Density 7.5 lb / gal. Slightly soluble in water. Vapors are heavier than air. Used...

---

980. 1,1,2-Trichloro-2-fluoroethane

Link: https://3d.nih.gov/entries/3DPX-016993

Description: No description available

---

981. Bilirubin

Link: https://3d.nih.gov/entries/3DPX-017003

Description: Bilirubin IXalpha is a member of the class of biladienes that is a linear tetrapyrrole with the dipyrrole units being of both exovinyl and endovinyl type. A product of heme degradation, it is produ...

---

982. 21H-Biline-8,12-dipropanoic acid, 3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-

Link: https://3d.nih.gov/entries/3DPX-017005

Description: No description available

---

983. Stercobilin

Link: https://3d.nih.gov/entries/3DPX-017006

Description: (-)-stercobilin is a stercobilin.

---

984. 3-Imino-3H-phenothiazin-7-amine

Link: https://3d.nih.gov/entries/3DPX-017008

Description: No description available

---

985. Pacritinib

Link: https://3d.nih.gov/entries/3DPX-017010

Description: Pacritinib is under investigation for the prevention of Acute Myeloid Leukemia (AML).

---

986. Panadol

Link: https://3d.nih.gov/entries/3DPX-017018

Description: No description available

---

987. Antibiotic ( streptomycin)

Link: https://3d.nih.gov/entries/3DPX-017019

Description: No description available

---

988. antibiotic

Link: https://3d.nih.gov/entries/3DPX-017027

Description: No description available

---

989. Ni DCF Complex

Link: https://3d.nih.gov/entries/3DPX-017039

Description: No description available

---

990. L-Fucitol

Link: https://3d.nih.gov/entries/3DPX-017041

Description: L-fucitol is the L-enantiomer of fucitol. It is found in nutmeg. It has a role as a plant metabolite and an antibacterial agent. It is an enantiomer of a D-fucitol.

---

991. Drug

Link: https://3d.nih.gov/entries/3DPX-017047

Description: No description available

---

992. Remdesivir

Link: https://3d.nih.gov/entries/3DPX-017048

Description: No description available

---

993. Dabrafenib

Link: https://3d.nih.gov/entries/3DPX-017049

Description: No description available

---

994. PTCDA

Link: https://3d.nih.gov/entries/3DPX-017050

Description: No description available

---

995. 3-(4-(3-(ethylsulfonyl)propyl)bicyclo[2.2.2]octan-1-yl)-4-methyl-5-(2-(trifluoromethyl)phenyl)-4H-1,2,4-triazole

Link: https://3d.nih.gov/entries/3DPX-017052

Description: MK-0736 is under investigation in clinical trial NCT00679055 (A Study of How MK-0736 Affects Arterial Plaque (0736-006)(TERMINATED)).

---

996. Tremulacin

Link: https://3d.nih.gov/entries/3DPX-017054

Description: Tremulacin is a glycoside.

---

997. Quinine

Link: https://3d.nih.gov/entries/3DPX-017055

Description: Quinine is a cinchona alkaloid that is cinchonidine in which the hydrogen at the 6-position of the quinoline ring is substituted by methoxy. It has a role as an antimalarial, a muscle relaxant and ...

---

998. covid 19

Link: https://3d.nih.gov/entries/3DPX-017056

Description: No description available

---

999. Arabidopsis Tudor Domain

Link: https://3d.nih.gov/entries/3DPX-017058

Description: No description available

---

1000. Guanofuracin

Link: https://3d.nih.gov/entries/3DPX-017069

Description: No description available

---

1001. Nitrofurazone

Link: https://3d.nih.gov/entries/3DPX-017070

Description: No description available

---

1002. 5-Nitro-2-thiophenecarboxaldehyde aminoguanidine bicarbonate

Link: https://3d.nih.gov/entries/3DPX-017072

Description: No description available

---

1003. 5-Methylfurfural aminoguanidine bicarbonate

Link: https://3d.nih.gov/entries/3DPX-017073

Description: No description available

---

1004. Furfural aminoguanidine bicarbonate

Link: https://3d.nih.gov/entries/3DPX-017074

Description: No description available

---

1005. 6-Nitro-2-pyridinecarboxaldehyde aminoguanidine bicarbonate

Link: https://3d.nih.gov/entries/3DPX-017075

Description: No description available

---

1006. 5-Nitro-2-thiophenecarboxaldehyde aminoguanidine bicarbonate

Link: https://3d.nih.gov/entries/3DPX-017076

Description: No description available

---

1007. ynhs211008

Link: https://3d.nih.gov/entries/3DPX-017078

Description: No description available

---

1008. ATP

Link: https://3d.nih.gov/entries/3DPX-017080

Description: No description available

---

1009. Piperonal

Link: https://3d.nih.gov/entries/3DPX-017091

Description: Piperonal is an arenecarbaldehyde that is 1,3-benzodioxole substituted by a formyl substituent at position 5. It has been isolated from Piper nigrum. It has a role as a plant metabolite, a fragranc...

---

1010. NSC 11863;Piperonylideneacetophenone

Link: https://3d.nih.gov/entries/3DPX-017092

Description: No description available

---

1011. 4-Methoxychalcone

Link: https://3d.nih.gov/entries/3DPX-017093

Description: 4-Methoxychalcone is a natural product found in Ficus lyrata with data available.

---

1012. 3-Nitrochalcone

Link: https://3d.nih.gov/entries/3DPX-017094

Description: No description available

---

1013. Fluoxetine

Link: https://3d.nih.gov/entries/3DPX-017099

Description: N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine is an aromatic ether consisting of 4-trifluoromethylphenol in which the hydrogen of the phenolic hydroxy group is replaced by a 3-(met...

---

1014. methyl N-[[3-(trifluoromethyl)phenyl]methylidene]pyridine-4-carbohydrazonate

Link: https://3d.nih.gov/entries/3DPX-017101

Description: No description available

---

1015. Methyl 4-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylate

Link: https://3d.nih.gov/entries/3DPX-017102

Description: No description available

---

1016. [18F]Fluorodeoxyglucose

Link: https://3d.nih.gov/entries/3DPX-017113

Description: No description available

---

1017. Esketamine

Link: https://3d.nih.gov/entries/3DPX-017118

Description: Esketamine is the S- (more active) enantiomer of ketamine. It has a role as an analgesic, a NMDA receptor antagonist and an intravenous anaesthetic. It is an enantiomer of a (R)-ketamine.

---

1018. 1-(2,6,6-Trimethylcyclohex-2-en-1-yl)hepta-1,6-dien-3-one

Link: https://3d.nih.gov/entries/3DPX-017119

Description: No description available

---

1019. Dihydromyristicin

Link: https://3d.nih.gov/entries/3DPX-017128

Description: No description available

---

1020. Actual THC

Link: https://3d.nih.gov/entries/3DPX-017134

Description: No description available

---

1021. HSA-1

Link: https://3d.nih.gov/entries/3DPX-017135

Description: No description available

---

1022. Updated THCCCC

Link: https://3d.nih.gov/entries/3DPX-017136

Description: No description available

---

1023. 2-(6-hydroxy-1,3-benzothiazol-2-yl)-1,3-thiazol-4(5H)-one

Link: https://3d.nih.gov/entries/3DPX-017155

Description: Oxidized Photinus luciferin is a Photinus luciferin. It has a role as a member of oxidized luciferins. It is a conjugate acid of an oxidized Photinus luciferin(1-).

---

1024. Cyclooctatetraene

Link: https://3d.nih.gov/entries/3DPX-017159

Description: [8]annulene is an antiaromatic annulene that is cyclooctane having four double bonds at positions 1, 3, 5 and 7.

---

1025. 5-Chloro-3-(7-chloro-5-methoxy-2,3-dihydro-1H-indol-1-yl)-1-(1-cyclobutylpropyl)-2(1H)-pyrazinone

Link: https://3d.nih.gov/entries/3DPX-017160

Description: No description available

---

1026. Vinyl-ethanol chloride

Link: https://3d.nih.gov/entries/3DPX-017163

Description: No description available

---

1027. 1,2,3,6-Tetrahydrophthalimide

Link: https://3d.nih.gov/entries/3DPX-017164

Description: No description available

---

1028. N-Methylethylenediamine

Link: https://3d.nih.gov/entries/3DPX-017165

Description: No description available

---

1029. Pentaerythritol

Link: https://3d.nih.gov/entries/3DPX-017166

Description: Pentaerythritol is a tetrol that is neopentane in which one of the methyl hydrogens of all four methyl groups are replaced by hydroxy groups. It is a chemical intermediate used in the production of...

---

1030. (1S,3S,5S)-2-[(2S)-2-amino-2-[(5R)-3-hydroxy-1-adamantyl]acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

Link: https://3d.nih.gov/entries/3DPX-001717

Description: Saxagliptin (rINN) is an orally active hypoglycemic (anti-diabetic drug) of the new dipeptidyl peptidase-4 (DPP-4) inhibitor class of drugs. FDA approved on July 31, 2009.

---

1031. Haloperidol

Link: https://3d.nih.gov/entries/3DPX-017177

Description: Haloperidol is a compound composed of a central piperidine structure with hydroxy and p-chlorophenyl substituents at position 4 and an N-linked p-fluorobutyrophenone moiety. It has a role as a sero...

---

1032. Riboflavin

Link: https://3d.nih.gov/entries/3DPX-001718

Description: Riboflavin is d-Ribitol in which the hydroxy group at position 5 is substituted by a 7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl moiety. It is a nutritional factor found in milk, e...

---

1033. Naphtylporphyrin conformation1

Link: https://3d.nih.gov/entries/3DPX-017182

Description: No description available

---

1034. Naphtylporphyrin conformation2

Link: https://3d.nih.gov/entries/3DPX-017183

Description: No description available

---

1035. Naphtylporpyrin conformation3

Link: https://3d.nih.gov/entries/3DPX-017184

Description: No description available

---

1036. Naphtylporphyrin conformation4

Link: https://3d.nih.gov/entries/3DPX-017185

Description: No description available

---

1037. Naphtylporphyrin conformation5

Link: https://3d.nih.gov/entries/3DPX-017186

Description: No description available

---

1038. Naphtylporphyrin conformation 6

Link: https://3d.nih.gov/entries/3DPX-017187

Description: No description available

---

1039. Naphtylporphyrin conformation7

Link: https://3d.nih.gov/entries/3DPX-017188

Description: No description available

---

1040. Naphtylporphyrin conformation8

Link: https://3d.nih.gov/entries/3DPX-017189

Description: No description available

---

1041. Naphtylporphyrin conformation9

Link: https://3d.nih.gov/entries/3DPX-017190

Description: No description available

---

1042. Naphtylporphyrin conformation10

Link: https://3d.nih.gov/entries/3DPX-017191

Description: No description available

---

1043. Vitamin B12 (Cobalamin) ligand

Link: https://3d.nih.gov/entries/3DPX-017203

Description: Vitamin B12 (Cobalamin) ligand structure

---

1044. aspartame

Link: https://3d.nih.gov/entries/3DPX-017206

Description: No description available

---

1045. Bambusuril

Link: https://3d.nih.gov/entries/3DPX-017207

Description: No description available

---

1046. Aspirin

Link: https://3d.nih.gov/entries/3DPX-017208

Description: Model of Aspirin (ZINC53)

---

1047. Pantoprazole

Link: https://3d.nih.gov/entries/3DPX-017209

Description: Model of ZINC4099200

---

1048. Cholecalciferol

Link: https://3d.nih.gov/entries/3DPX-017210

Description: Model of ZINC4474460

---

1049. Vitamin B12 (Cobalamin) ligand (folded)

Link: https://3d.nih.gov/entries/3DPX-017214

Description: 3D structure of the Holotranscobalamin bound Vitamin B12

---

1050. Ethanol-1-13C

Link: https://3d.nih.gov/entries/3DPX-017217

Description: No description available

---

1051. Erythritol

Link: https://3d.nih.gov/entries/3DPX-017225

Description: No description available

---

1052. rebA

Link: https://3d.nih.gov/entries/3DPX-017226

Description: No description available

---

1053. 2-(3-Ethyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide

Link: https://3d.nih.gov/entries/3DPX-017229

Description: No description available

---

1054. Ergosterol

Link: https://3d.nih.gov/entries/3DPX-001723

Description: Ergosterol is a phytosterol consisting of ergostane having double bonds at the 5,6-, 7,8- and 22,23-positions as well as a 3beta-hydroxy group. It has a role as a fungal metabolite and a Saccharomy...

---

1055. Bis(2-adamantyl)-[[2-[bis(2-adamantyl)phosphanyl]cyclohexyl]methyl]phosphane

Link: https://3d.nih.gov/entries/3DPX-001724

Description: No description available

---

1056. Dess Martin Periodinane (DMP)

Link: https://3d.nih.gov/entries/3DPX-017251

Description: No description available

---

1057. verdens bedste molekyle

Link: https://3d.nih.gov/entries/3DPX-017252

Description: No description available

---

1058. Nifedipine

Link: https://3d.nih.gov/entries/3DPX-017254

Description: Nifedipine is a dihydropyridine, a methyl ester and a C-nitro compound. It has a role as a calcium channel blocker, a vasodilator agent, a tocolytic agent and a human metabolite.

---

1059. (3S)-3-(benzotriazol-2-yl)piperidine-2,6-dione

Link: https://3d.nih.gov/entries/3DPX-017313

Description: No description available

---

1060. Thalidomide

Link: https://3d.nih.gov/entries/3DPX-017314

Description: Thalidomide appears as needles or white powder. (NTP, 1992)

---

1061. DFA spirocycle

Link: https://3d.nih.gov/entries/3DPX-017319

Description: No description available

---

1062. DFA amide

Link: https://3d.nih.gov/entries/3DPX-017320

Description: No description available

---

1063. Polyglucosan

Link: https://3d.nih.gov/entries/3DPX-017328

Description: Beta-D-glucan is a glucan.

---

1064. Eleutherobin

Link: https://3d.nih.gov/entries/3DPX-017330

Description: Eleutherobin is a natural product found in Erythropodium caribaeorum with data available.

---

1065. CCR7 Ligand 1

Link: https://3d.nih.gov/entries/3DPX-017342

Description: No description available

---

1066. 1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide

Link: https://3d.nih.gov/entries/3DPX-017343

Description: No description available

---

1067. N-(3-chloro-2-methylphenyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide

Link: https://3d.nih.gov/entries/3DPX-017389

Description: No description available

---

1068. [2-(4-Fluoro-3-nitroanilino)-2-oxoethyl] 5-chloro-2-hydroxybenzoate

Link: https://3d.nih.gov/entries/3DPX-017390

Description: No description available

---

1069. 2-[5-(Cyanomethyl)-3,6-dioxo-1,4-diphenylpyrrolo[3,4-c]pyrrol-2-yl]acetonitrile

Link: https://3d.nih.gov/entries/3DPX-017391

Description: No description available

---

1070. 2,2,2-Trifluoroethanesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-017423

Description: No description available

---

1071. N6-Methyladenosine

Link: https://3d.nih.gov/entries/3DPX-017428

Description: N(6)-methyladenosine is a methyladenosine compound with one methyl group attached to N(6) of the adenine nucleobase.

---

1072. Azahelicene 2

Link: https://3d.nih.gov/entries/3DPX-017464

Description: No description available

---

1073. Atropin

Link: https://3d.nih.gov/entries/3DPX-017492

Description: No description available

---

1074. Levodopa

Link: https://3d.nih.gov/entries/3DPX-017493

Description: No description available

---

1075. 4-Fluorophenol

Link: https://3d.nih.gov/entries/3DPX-017498

Description: 4-fluorophenol is a fluorophenol that is phenol in which the hydrogen para- to the hydroxy group has been replaced by a fluorine. It is a fluorophenol and a member of monofluorobenzenes.

---

1076. 4-Fluorocatechol

Link: https://3d.nih.gov/entries/3DPX-017499

Description: 4-Fluorocatechol is a member of catechols.

---

1077. 10,16-Dihydroxyhexadecanoic acid

Link: https://3d.nih.gov/entries/3DPX-017502

Description: 10,16-Dihydroxyhexadecanoic acid is a hydroxy fatty acid.

---

1078. 10-Hydroxy-2-decenoic acid

Link: https://3d.nih.gov/entries/3DPX-017509

Description: (E)-10-hydroxydec-2-enoic acid is an omega-hydroxy amino acid that is 2-decenoic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group and in which the C...

---

1079. Penicillin G potassium

Link: https://3d.nih.gov/entries/3DPX-017534

Description: No description available

---

1080. (1S,3E)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol

Link: https://3d.nih.gov/entries/3DPX-001754

Description: Ergocalciferol (Vitamin D2) is a derivative of ergosterol formed by ultraviolet rays breaking of the C9-C10 bond. It differs from cholecalciferol in having a double bond between C22 and C23 and a m...

---

1081. DNA Ligase Inhibitor

Link: https://3d.nih.gov/entries/3DPX-017563

Description: No description available

---

1082. Ergocalciferol

Link: https://3d.nih.gov/entries/3DPX-001758

Description: Vitamin D2 is a vitamin D supplement and has been isolated from alfalfa. It has a role as a nutraceutical, a bone density conservation agent, a rodenticide and a plant metabolite. It is a seco-ergo...

---

1083. 4-[5-(5-chloro-6-oxopiperidin-3-yl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-4-yl]-2-fluorobenzonitrile

Link: https://3d.nih.gov/entries/3DPX-001760

Description: No description available

---

1084. N-(2-phenoxyethyl)pyridin-2-amine

Link: https://3d.nih.gov/entries/3DPX-017604

Description: No description available

---

1085. cis-Cyclooctene oxide

Link: https://3d.nih.gov/entries/3DPX-017607

Description: No description available

---

1086. Glycine

Link: https://3d.nih.gov/entries/3DPX-017612

Description: Made for a college course (not an assignment, made it on my own) to help myself and my classmates better understand the structure of certain amino acids and how they form peptide bonds ...

---

1087. Risedronic acid

Link: https://3d.nih.gov/entries/3DPX-017635

Description: Risedronic acid is a member of pyridines.

---

1088. Zoledronic acid

Link: https://3d.nih.gov/entries/3DPX-017636

Description: Zoledronic acid is an imidazole compound having a 2,2-bis(phosphono)-2-hydroxyethane-1-yl substituent at the 1-position. It has a role as a bone density conservation agent. It is a member of imidaz...

---

1089. N-(heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide

Link: https://3d.nih.gov/entries/3DPX-017637

Description: N-(Heptan-4-yl)benzo[d][1,3]dioxole-5-carboxamide is a member of benzodioxoles.

---

1090. N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-YL)ethyl)oxalamide

Link: https://3d.nih.gov/entries/3DPX-017639

Description: N1-(2,4-Dimethoxybenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide is an amino acid amide.

---

1091. Methylprednisolone hemisuccinate

Link: https://3d.nih.gov/entries/3DPX-001764

Description: Methylprednisolone succinate is a corticosteroid hormone and a hemisuccinate.

---

1092. Melamine

Link: https://3d.nih.gov/entries/3DPX-017640

Description: Melamine is a trimer of cyanamide, with a 1,3,5-triazine skeleton. It has a role as a xenobiotic metabolite. It is functionally related to a cyanamide. It is a conjugate base of a melamine(1+).

---

1093. Ferulic acid

Link: https://3d.nih.gov/entries/3DPX-017641

Description: Ferulic acid is a ferulic acid consisting of trans-cinnamic acid bearing methoxy and hydroxy substituents at positions 3 and 4 respectively on the phenyl ring. It has a role as an antioxidant, a MA...

---

1094. Penicillin

Link: https://3d.nih.gov/entries/3DPX-017647

Description: No description available

---

1095. Tamoxifen

Link: https://3d.nih.gov/entries/3DPX-017648

Description: No description available

---

1096. Ferroquine

Link: https://3d.nih.gov/entries/3DPX-017649

Description: No description available

---

1097. Donepezil

Link: https://3d.nih.gov/entries/3DPX-001765

Description: Donepezil is a racemate comprising equimolar amounts of (R)- and (S)-donepezil. A centrally acting reversible acetylcholinesterase inhibitor, its main therapeutic use is in the treatment of Alzheim...

---

1098. 2-[(4-Hydroxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-one

Link: https://3d.nih.gov/entries/3DPX-017654

Description: No description available

---

1099. (2R,4R)-4-[[(1S,4S,6R)-4-tricyclo[4.3.1.02,4]decanyl]oxy]pentan-2-ol

Link: https://3d.nih.gov/entries/3DPX-017655

Description: No description available

---

1100. Ap3A

Link: https://3d.nih.gov/entries/3DPX-017656

Description: No description available

---

1101. Glutamate

Link: https://3d.nih.gov/entries/3DPX-017659

Description: Glutamate(1-) is an alpha-amino-acid anion that is the conjugate base of glutamic acid, having anionic carboxy groups and a cationic amino group It has a role as a fundamental metabolite. It is a c...

---

1102. 1,4-Bis(2-methylstyryl)benzene

Link: https://3d.nih.gov/entries/3DPX-017667

Description: No description available

---

1103. [(1S)-3-amino-4-methoxycyclopentyl]methyl sulfamate

Link: https://3d.nih.gov/entries/3DPX-017686

Description: No description available

---

1104. (2S)-2-amino-1-[4-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one

Link: https://3d.nih.gov/entries/3DPX-017687

Description: No description available

---

1105. 5-[4-(Benzyloxy)-3-methoxybenzylidene]-2-[(3-chloro-2-methylphenyl)imino]-1,3-thiazolidin-4-one

Link: https://3d.nih.gov/entries/3DPX-017688

Description: No description available

---

1106. Protic-NHC complex

Link: https://3d.nih.gov/entries/3DPX-017689

Description: No description available

---

1107. 4xdk_norfluoxetine

Link: https://3d.nih.gov/entries/3DPX-017693

Description: No description available

---

1108. 3-epi-vitamin D3

Link: https://3d.nih.gov/entries/3DPX-001770

Description: Derivative of 7-dehydroxycholesterol formed by ULTRAVIOLET RAYS breaking of the C9-C10 bond. It differs from ERGOCALCIFEROL in having a single bond between C22 and C23 and lacking a methyl group at...

---

1109. (-)-alpha-Tocopherol

Link: https://3d.nih.gov/entries/3DPX-001771

Description: (S,S,S)-alpha-tocopherol is the (S,S,S)-stereoisomer of alpha-tocopherol. It is an enantiomer of a (R,R,R)-alpha-tocopherol.

---

1110. Isophorone diamine

Link: https://3d.nih.gov/entries/3DPX-017719

Description: Isophoronediamine appears as a clear to light-yellow liquid. Highly soluble though slightly denser than water. May be toxic by inhalation and skin absorption. Corrosive to skin. Used to make other ...

---

1111. 2-(2,4,5,7-Tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid

Link: https://3d.nih.gov/entries/3DPX-017723

Description: 2',4',5',7'-tetrabromofluorescein is a xanthene dye that is fluorescein bearing bromine substituents at positions 2', 4', 5' and 7'. It is a xanthene dye, an organobromine compound and a monocarbox...

---

1112. 1-(4-Chlorophenyl)-3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one

Link: https://3d.nih.gov/entries/3DPX-017733

Description: No description available

---

1113. 4-Methyl-2-pentyne

Link: https://3d.nih.gov/entries/3DPX-017736

Description: No description available

---

1114. 1,1,2,3-Tetrachloropropane

Link: https://3d.nih.gov/entries/3DPX-017739

Description: No description available

---

1115. Furosemide

Link: https://3d.nih.gov/entries/3DPX-017745

Description: Furosemide is a chlorobenzoic acid that is 4-chlorobenzoic acid substituted by a (furan-2-ylmethyl)amino and a sulfamoyl group at position 2 and 5 respectively. It is a diuretic used in the treatme...

---

1116. KRAS G12D in complex with MRTX-1133

Link: https://3d.nih.gov/entries/3DPX-017750

Description: No description available

---

1117. 2-[4-(Propoxymethyl)cyclohexyl]acetic acid

Link: https://3d.nih.gov/entries/3DPX-017765

Description: No description available

---

1118. serotonina

Link: https://3d.nih.gov/entries/3DPX-017780

Description: No description available

---

1119. CID 5376812

Link: https://3d.nih.gov/entries/3DPX-001782

Description: No description available

---

1120. selective alkylator

Link: https://3d.nih.gov/entries/3DPX-017834

Description: Alkylating agents for nucleic acids have been widely used in cancer chemotherapy, as well as in chemical biology for strong inhibitors and tagging methods. We provide a series of reactive OFF–ON ty...

---

1121. N,N-Dimethyladriamycin

Link: https://3d.nih.gov/entries/3DPX-017847

Description: No description available

---

1122. O-Phospho-L-tyrosine

Link: https://3d.nih.gov/entries/3DPX-017853

Description: O(4)-phospho-L-tyrosine is a non-proteinogenic L-alpha-amino acid that is L-tyrosine phosphorylated at the phenolic hydroxy group. It has a role as an Escherichia coli metabolite and an immunogen. ...

---

1123. O-Phospho-L-tyrosine without hydrogen

Link: https://3d.nih.gov/entries/3DPX-017863

Description: An amino acid that occurs in endogenous proteins. Tyrosine phosphorylation and dephosphorylation plays a role in cellular signal transduction and possibly in cell growth control and carcinogenesis.

---

1124. Protoanemonin

Link: https://3d.nih.gov/entries/3DPX-017876

Description: Protoanemonin is a butenolide.

---

1125. N-(2,2-diethyl-3,4-dihydrochromen-4-yl)-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide

Link: https://3d.nih.gov/entries/3DPX-017888

Description: No description available

---

1126. Psoralen

Link: https://3d.nih.gov/entries/3DPX-017890

Description: Psoralen is the simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like Psoralea corylifolia and Ficus salicifol...

---

1127. 1-Dodecanethiol

Link: https://3d.nih.gov/entries/3DPX-017893

Description: Lauryl mercaptan is an oily colorless liquid with a mild skunk odor. Freezing point 19 °F. (USCG, 1999)

---

1128. Dodecyl benzenesulfonate

Link: https://3d.nih.gov/entries/3DPX-017894

Description: No description available

---

1129. 4-Dodecylbenzenesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-017895

Description: 4-dodecylbenzenesulfonic acid is a member of the class dodecylbenzenesulfonic acids that is benzenesulfonic acid in which the hydrogen at position 4 of the phenyl ring is substituted by a dodecyl g...

---

1130. Remimazolam

Link: https://3d.nih.gov/entries/3DPX-017896

Description: Remimazolam is an ultra short-acting benzodiazepine used in the induction and maintenance of sedation during short (less than 30 minute) procedures. Recent trends in anesthesia-related drug development have...

---

1131. O-sialic acid

Link: https://3d.nih.gov/entries/3DPX-017903

Description: N-acetyl-alpha-neuraminic acid is n-Acetylneuraminic acid with alpha configuration at the anomeric centre. It has a role as an epitope. It is functionally related to an alpha-neuraminic acid. It is...

---

1132. N-Acetyl-2-deoxy-2-amino-galactose

Link: https://3d.nih.gov/entries/3DPX-017904

Description: N-acetyl-alpha-D-galactosamine is an N-acetyl-D-galactosamine having alpha-configuration at the anomeric centre. It has a role as an epitope. It is functionally related to an alpha-D-galactosamine.

---

1133. 2-[2-(4-Methoxyphenyl)ethyl]-2,4,4,6-tetramethyl-1,3-dioxane

Link: https://3d.nih.gov/entries/3DPX-017921

Description: No description available

---

1134. Richard Peptide

Link: https://3d.nih.gov/entries/3DPX-017922

Description: No description available

---

1135. Levocarnitine

Link: https://3d.nih.gov/entries/3DPX-017923

Description: (R)-carnitine is the (R)-enantiomer of carnitine. It has a role as an antilipemic drug, a water-soluble vitamin (role), a nutraceutical, a nootropic agent and a Saccharomyces cerevisiae metabolite....

---

1136. Betonicine

Link: https://3d.nih.gov/entries/3DPX-017924

Description: Trans-4-hydroxy-L-proline betaine is an amino-acid betaine that is trans-4-hydroxy-L-proline zwitterion in which both of the hydrogens attached to the nitrogen have been replaced by methyl groups. ...

---

1137. trans-Stilbene

Link: https://3d.nih.gov/entries/3DPX-017929

Description: Stilbene is an olefinic compound and a member of benzenes.

---

1138. 4-deoxy-L-araHexA2S(a1-4)a-GlcNS6S

Link: https://3d.nih.gov/entries/3DPX-001793

Description: No description available

---

1139. 4,4-Diaminostilbene

Link: https://3d.nih.gov/entries/3DPX-017930

Description: No description available

---

1140. PLP

Link: https://3d.nih.gov/entries/3DPX-017945

Description: No description available

---

1141. (S)-Glycidyl 3-nitrobenzenesulfonate

Link: https://3d.nih.gov/entries/3DPX-017947

Description: No description available

---

1142. 6-(2,5-dioxopyrrol-1-yl)-N-(1-hydroxypropan-2-yl)hexanamide

Link: https://3d.nih.gov/entries/3DPX-017948

Description: No description available

---

1143. 2,3,3',4,4',5'-Hexabromobiphenyl

Link: https://3d.nih.gov/entries/3DPX-017957

Description: No description available

---

1144. Divinyl sulfone

Link: https://3d.nih.gov/entries/3DPX-017958

Description: Divinyl sulfone is a clear colorless liquid. (NTP, 1992)

---

1145. Caffeic Acid

Link: https://3d.nih.gov/entries/3DPX-017965

Description: Caffeic acid is a hydroxycinnamic acid that is cinnamic acid in which the phenyl ring is substituted by hydroxy groups at positions 3 and 4. It exists in cis and trans forms; the latter is the more...

---

1146. Dihydrojasmone

Link: https://3d.nih.gov/entries/3DPX-017969

Description: 3-methyl-2-pentylcyclopent-2-en-1-one is a cyclic ketone.

---

1147. 2,4,5-Trichloro-6-sulfanylbenzene-1,3-dicarbonitrile

Link: https://3d.nih.gov/entries/3DPX-017970

Description: No description available

---

1148. L-Fucose

Link: https://3d.nih.gov/entries/3DPX-017972

Description: L-fucopyranose is the pyranose form of L-fucose. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a L-fucose and a fucopyranose.

---

1149. (R)-(-)-Ibuprofen

Link: https://3d.nih.gov/entries/3DPX-017973

Description: Levibuprofen is an ibuprofen. It is an enantiomer of a dexibuprofen.

---

1150. Ethanethiol

Link: https://3d.nih.gov/entries/3DPX-017974

Description: Ethanethiol is an alkanethiol that is ethane substituted by a thiol group at position 1. It is added to odorless gaseous products such as liquefied petroleum gas (LPG) to provide a garlic scent whi...

---

1151. Arsenic Trioxide

Link: https://3d.nih.gov/entries/3DPX-017989

Description: No description available

---

1152. Dextromethorphan

Link: https://3d.nih.gov/entries/3DPX-017994

Description: Dextromethorphan is a 6-methoxy-11-methyl-1,3,4,9,10,10a-hexahydro-2H-10,4a-(epiminoethano)phenanthrene in which the sterocenters at positions 4a, 10 and 10a have S-configuration. It is a prodrug o...

---

1153. Nepetalactone

Link: https://3d.nih.gov/entries/3DPX-017995

Description: nepetalactone is a natural product found in Paeonia lactiflora, Nepeta cataria, and Cinara pilicornis with data available.

---

1154. R-ibuprofen (COX-2)

Link: https://3d.nih.gov/entries/3DPX-017999

Description: No description available

---

1155. S-ibuprofen (COX-2)

Link: https://3d.nih.gov/entries/3DPX-018000

Description: No description available

---

1156. S-ibuprofen (COX-2)

Link: https://3d.nih.gov/entries/3DPX-018003

Description: No description available

---

1157. Etizolam

Link: https://3d.nih.gov/entries/3DPX-018004

Description: Etizolam is an organic molecular entity.

---

1158. 2-((4-Chlorophenyl)sulfonyl-N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)acetamide

Link: https://3d.nih.gov/entries/3DPX-018010

Description: No description available

---

1159. Fluoro(sulfinyl)phosphane

Link: https://3d.nih.gov/entries/3DPX-018011

Description: No description available

---

1160. Bicyclic Oxazine_1

Link: https://3d.nih.gov/entries/3DPX-018014

Description: No description available

---

1161. Se molecule

Link: https://3d.nih.gov/entries/3DPX-018016

Description: No description available

---

1162. Tetrabromophenylmethane Oxidative Addition Complex

Link: https://3d.nih.gov/entries/3DPX-018019

Description: No description available

---

1163. Edetic acid

Link: https://3d.nih.gov/entries/3DPX-001802

Description: Ethylenediaminetetraacetic acid is a tetracarboxylic acid, an ethylenediamine derivative and a polyamino carboxylic acid. It has a role as an antidote, a geroprotector, a chelator, a copper chelato...

---

1164. N-Trityl-Nallyl

Link: https://3d.nih.gov/entries/3DPX-018020

Description: No description available

---

1165. N-phenyl-bicyclic-oxazine

Link: https://3d.nih.gov/entries/3DPX-018022

Description: No description available

---

1166. iPrCuOtBu

Link: https://3d.nih.gov/entries/3DPX-018023

Description: No description available

---

1167. 8-bromo-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Link: https://3d.nih.gov/entries/3DPX-018036

Description: No description available

---

1168. Clonazolam

Link: https://3d.nih.gov/entries/3DPX-018037

Description: No description available

---

1169. (6aR)-N,N-diethyl-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

Link: https://3d.nih.gov/entries/3DPX-018039

Description: No description available

---

1170. 3,3',5,5'-Tetramethylbenzidine

Link: https://3d.nih.gov/entries/3DPX-018040

Description: 3,3',5,5'-tetramethylbenzidine appears as pale yellow crystals or off-white powder. (NTP, 1992)

---

1171. C6H

Link: https://3d.nih.gov/entries/3DPX-018048

Description: No description available

---

1172. P207-C168

Link: https://3d.nih.gov/entries/3DPX-018049

Description: No description available

---

1173. 1,4,7,10,13,16-Hexaoxacyclooctadecane

Link: https://3d.nih.gov/entries/3DPX-001805

Description: 18-crown-6 is a crown ether that is cyclooctadecane in which the carbon atoms at positions 1, 4, 7, 10, 13 and 16 have been replaced by oxygen atoms. It has a role as a phase-transfer catalyst. It ...

---

1174. D203-C168

Link: https://3d.nih.gov/entries/3DPX-018051

Description: hyperbolic soccer ball pattern

---

1175. Malonyl-sildenafil

Link: https://3d.nih.gov/entries/3DPX-018052

Description: No description available

---

1176. (S)-Bethanechol

Link: https://3d.nih.gov/entries/3DPX-018067

Description: (S)-bethanechol is the (S)-enantiomer of bethanechol. It is an enantiomer of a (R)-bethanechol.

---

1177. Tribenzocyclyne

Link: https://3d.nih.gov/entries/3DPX-001807

Description: No description available

---

1178. Diclofenac

Link: https://3d.nih.gov/entries/3DPX-018071

Description: No description available

---

1179. 3-[4-Hydroxy-2-(4-methylphenyl)-1,3-thiazol-5-yl]-5,7-dimethylindol-2-one

Link: https://3d.nih.gov/entries/3DPX-018072

Description: No description available

---

1180. 5-(1,5-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-1,5-dimethyl-1,3-diazinane-2,4,6-trione

Link: https://3d.nih.gov/entries/3DPX-018073

Description: No description available

---

1181. Diisobutyl sulfoxide

Link: https://3d.nih.gov/entries/3DPX-018079

Description: No description available

---

1182. N',N'-diethyl-N-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)propane-1,3-diamine

Link: https://3d.nih.gov/entries/3DPX-018080

Description: No description available

---

1183. 2-Acetamido-4-methylthiazole-5-sulfonyl chloride

Link: https://3d.nih.gov/entries/3DPX-018082

Description: No description available

---

1184. mauveine A

Link: https://3d.nih.gov/entries/3DPX-018083

Description: Mauveine A is an organic cation consisting of 7-(4-methylanilino)phenazine carrying additional methyl, amino and phenyl substituents at positions 2, 3 and 5 respectively. One of four components of ...

---

1185. 1,4-Dimorpholino-7-phenylpyrido(3,4-d)pyridazine

Link: https://3d.nih.gov/entries/3DPX-018084

Description: No description available

---

1186. 1-[4-(5-Iodo-2-methoxyphenyl)-6-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidin-5-yl]ethanone

Link: https://3d.nih.gov/entries/3DPX-018085

Description: No description available

---

1187. 7-Bromo-l-tryptophan

Link: https://3d.nih.gov/entries/3DPX-018087

Description: No description available

---

1188. Benzyltrimethylammonium

Link: https://3d.nih.gov/entries/3DPX-001809

Description: No description available

---

1189. Stearic acid

Link: https://3d.nih.gov/entries/3DPX-018100

Description: No description available

---

1190. (5S,7R)-5-(4-bromophenyl)-N-(3-methoxy-5-nitrophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide

Link: https://3d.nih.gov/entries/3DPX-018113

Description: No description available

---

1191. 4-Hydroxybutanoic acid

Link: https://3d.nih.gov/entries/3DPX-018117

Description: 4-hydroxybutyric acid is a 4-hydroxy monocarboxylic acid that is butyric acid in which one of the hydrogens at position 4 is replaced by a hydroxy group. It has a role as a general anaesthetic, a G...

---

1192. methyl (3Z,8R)-1-(2-methoxyphenyl)-8-methyl-2,5,6,7-tetrahydroazocine-8-carboxylate

Link: https://3d.nih.gov/entries/3DPX-018119

Description: No description available

---

1193. Tris(2,4,6-trimethoxyphenyl)phosphine

Link: https://3d.nih.gov/entries/3DPX-018120

Description: No description available

---

1194. Glycolaldehyde

Link: https://3d.nih.gov/entries/3DPX-018123

Description: No description available

---

1195. 21141937

Link: https://3d.nih.gov/entries/3DPX-018124

Description: Parent compound is CID 5800608

---

1196. EVF

Link: https://3d.nih.gov/entries/3DPX-018128

Description: No description available

---

1197. 2-Ethyl-5-methylthiolane

Link: https://3d.nih.gov/entries/3DPX-018130

Description: No description available

---

1198. Sitagliptin

Link: https://3d.nih.gov/entries/3DPX-018131

Description: Sitagliptin is a triazolopyrazine that exhibits hypoglycemic activity. It has a role as a serine proteinase inhibitor, a hypoglycemic agent, an EC 3.4.14.5 (dipeptidyl-peptidase IV) inhibitor, an e...

---

1199. Fullerene C70 (>97%)

Link: https://3d.nih.gov/entries/3DPX-018133

Description: No description available

---

1200. Qunine

Link: https://3d.nih.gov/entries/3DPX-018134

Description: No description available

---

1201. Qunidine

Link: https://3d.nih.gov/entries/3DPX-018135

Description: No description available

---

1202. D-Methadone

Link: https://3d.nih.gov/entries/3DPX-018147

Description: No description available

---

1203. I-Methadone

Link: https://3d.nih.gov/entries/3DPX-018148

Description: No description available

---

1204. Hexanitrohexaazaisowurtzitane

Link: https://3d.nih.gov/entries/3DPX-018149

Description: CL-20 is a polycyclic cage that is hexaazaisowurtzitane in which all six amino hydrogens are replaced by nitro groups. It has a role as an explosive. It is a N-nitro compound and a polycyclic cage.

---

1205. Glucose

Link: https://3d.nih.gov/entries/3DPX-018157

Description: No description available

---

1206. Paⅹlovid

Link: https://3d.nih.gov/entries/3DPX-018165

Description: No description available

---

1207. SARS-cov2

Link: https://3d.nih.gov/entries/3DPX-018166

Description: Drugs developed in China for the treatment of mild and moderate COVID-19 patients

---

1208. Glucose

Link: https://3d.nih.gov/entries/3DPX-018178

Description: No description available

---

1209. One Hexad

Link: https://3d.nih.gov/entries/3DPX-018184

Description: No description available

---

1210. MyHexadMel

Link: https://3d.nih.gov/entries/3DPX-018209

Description: No description available

---

1211. MyHexadFlat

Link: https://3d.nih.gov/entries/3DPX-018219

Description: No description available

---

1212. Mitragynine

Link: https://3d.nih.gov/entries/3DPX-018223

Description: Mitragynine is a monoterpenoid indole alkaloid.

---

1213. 9H-Purin-6-amine, 9-cyclobutyl-

Link: https://3d.nih.gov/entries/3DPX-018228

Description: No description available

---

1214. L-glyceraldehyde

Link: https://3d.nih.gov/entries/3DPX-018231

Description: L-glyceraldehyde is the L-enantiomer of glyceraldehyde. It is an enantiomer of a D-glyceraldehyde.

---

1215. L-glyceraldehyde

Link: https://3d.nih.gov/entries/3DPX-018232

Description: L-glyceraldehyde is the L-enantiomer of glyceraldehyde. It is an enantiomer of a D-glyceraldehyde.

---

1216. D-glyceraldehyde

Link: https://3d.nih.gov/entries/3DPX-018234

Description: D-glyceraldehyde is the D-enantiomer of glyceraldehyde. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an e...

---

1217. Cannabidiol

Link: https://3d.nih.gov/entries/3DPX-003349

Description: Cannabidiol is an cannabinoid that is cyclohexene which is substituted by a methyl group at position 1, a 2,6-dihydroxy-4-pentylphenyl group at position 3, and a prop-1-en-2-yl group at position 4....

---

1218. N-Acetyl-D-Glucosamine

Link: https://3d.nih.gov/entries/3DPX-003355

Description: N-acetyl-D-glucosamine is the D isomer of N-acetylglucosamine. It has a role as a bacterial metabolite. It is a N-acetylglucosamine and a N-acetyl-D-hexosamine.

---

1219. Saccharin

Link: https://3d.nih.gov/entries/3DPX-003375

Description: Saccharin is a 1,2-benzisothiazole having a keto-group at the 3-position and two oxo substituents at the 1-position. It is used as an artificial sweetening agent. It has a role as a sweetening agen...

---

1220. beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl

Link: https://3d.nih.gov/entries/3DPX-003376

Description: No description available

---

1221. Gossypol

Link: https://3d.nih.gov/entries/3DPX-003380

Description: A dimeric sesquiterpene found in cottonseed (GOSSYPIUM). The (-) isomer is active as a male contraceptive (CONTRACEPTIVE AGENTS, MALE) whereas toxic symptoms are associated with the (+) isomer.

---

1222. SULFURIC ACID

Link: https://3d.nih.gov/entries/3DPX-003383

Description: Sulfuric acid is a colorless oily liquid. It is soluble in water with release of heat. It is corrosive to metals and tissue. It will char wood and most other organic matter on contact, but is unlik...

---

1223. 1-(4-Chlorophenyl)-2-nitroethene

Link: https://3d.nih.gov/entries/3DPX-003384

Description: No description available

---

1224. Pentacene

Link: https://3d.nih.gov/entries/3DPX-003395

Description: Pentacene is an acene that consists of five ortho-fused benzene rings in a rectilinear arrangement. It is an acene and a member of pentacenes.

---

1225. Ceftriaxone

Link: https://3d.nih.gov/entries/3DPX-003396

Description: Ceftriaxone is a third-generation cephalosporin compound having 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetylamino and [(2-methyl-5,6-dioxo-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfanyl]meth...

---

1226. Dextran 40

Link: https://3d.nih.gov/entries/3DPX-003397

Description: A group of glucose polymers made by certain bacteria. Dextrans are used therapeutically as plasma volume expanders and anticoagulants. They are also commonly used in biological experimentation and ...

---

1227. Sarcosine

Link: https://3d.nih.gov/entries/3DPX-003402

Description: Sarcosine is a N-alkylglycine that is the N-methyl derivative of glycine. It is an intermediate in the metabolic pathway of glycine. It has a role as a glycine transporter 1 inhibitor, a glycine re...

---

1228. Nitric Acid

Link: https://3d.nih.gov/entries/3DPX-003415

Description: Nitric acid is a nitrogen oxoacid of formula HNO3 in which the nitrogen atom is bonded to a hydroxy group and by equivalent bonds to the remaining two oxygen atoms. It has a role as a protic solven...

---

1229. Silicon Dioxide

Link: https://3d.nih.gov/entries/3DPX-003420

Description: No description available

---

1230. Estrogen

Link: https://3d.nih.gov/entries/3DPX-003424

Description: No description available

---

1231. Metylparaben

Link: https://3d.nih.gov/entries/3DPX-003425

Description: No description available

---

1232. Propylparaben

Link: https://3d.nih.gov/entries/3DPX-003426

Description: No description available

---

1233. Acetaminophen-d4

Link: https://3d.nih.gov/entries/3DPX-003427

Description: No description available

---

1234. CH3ClOH

Link: https://3d.nih.gov/entries/3DPX-003429

Description: No description available

---

1235. simple e2; CH2BRCH3OH

Link: https://3d.nih.gov/entries/3DPX-003433

Description: No description available

---

1236. simple e2; CH2BRCH3OH 4

Link: https://3d.nih.gov/entries/3DPX-003435

Description: No description available

---

1237. Raffinose

Link: https://3d.nih.gov/entries/3DPX-003442

Description: No description available

---

1238. Stachyose

Link: https://3d.nih.gov/entries/3DPX-003443

Description: No description available

---

1239. Polylactic Acid

Link: https://3d.nih.gov/entries/3DPX-003454

Description: No description available

---

1240. Octogen

Link: https://3d.nih.gov/entries/3DPX-003461

Description: Octogen is a tetrazocane that is 1,3,5,7-tetrazocane in which the hydrogen atom attached to each of the nitrogens is replaced by a nitro group. It has a role as an explosive. It is a tetrazocane an...

---

1241. 1,1-Diamino-2,2-dinitroethylene

Link: https://3d.nih.gov/entries/3DPX-003462

Description: No description available

---

1242. Temozolomide

Link: https://3d.nih.gov/entries/3DPX-003463

Description: Temozolomide is an imidazotetrazine that is 3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine which is substituted at positions 3, 4, and 8 by methyl, oxo, and carboxamide groups, respectively. A prodrug...

---

1243. Bortezomib_2

Link: https://3d.nih.gov/entries/3DPX-003465

Description: No description available

---

1244. Squalene

Link: https://3d.nih.gov/entries/3DPX-003472

Description: Squalene is a triterpene consisting of 2,6,10,15,19,23-hexamethyltetracosane having six double bonds at the 2-, 6-, 10-, 14-, 18- and 22-positions with (all-E)-configuration. It has a role as a hum...

---

1245. C30 botryococcene

Link: https://3d.nih.gov/entries/3DPX-003473

Description: C30 botryococcene is a triterpene that is docosa-2,6,11,16,20-pentaene bearing six methyl substituents at positions 2, 6, 10, 13, 17 and 21 as well as a vinyl substituent at position 10 (with all-E...

---

1246. urolithin A

Link: https://3d.nih.gov/entries/3DPX-003474

Description: Urolithin A is a member of coumarins. It has a role as a geroprotector.

---

1247. Caffeine (ZINC: 1084)

Link: https://3d.nih.gov/entries/3DPX-003483

Description: This model of Caffeine was downloaded from the ZINC database (substance 1084) as a mol2 file and uploaded to the Exchange. . Note: There are other models of Caffeine on the Exchange. Use the Search...

---

1248. protoporphyrin IX

Link: https://3d.nih.gov/entries/3DPX-003489

Description: Protoporphyrin is a cyclic tetrapyrrole that consists of porphyrin bearing four methyl substituents at positions 3, 8, 13 and 17, two vinyl substituents at positions 7 and 12 and two 2-carboxyethyl...

---

1249. Pyrimethamine

Link: https://3d.nih.gov/entries/3DPX-003492

Description: Pyrimethamine is an aminopyrimidine that is pyrimidine-2,4-diamine which is substituted at position 5 by a p-chlorophenyl group and at position 6 by an ethyl group. It is a folic acid antagonist us...

---

1250. Hexahelicene

Link: https://3d.nih.gov/entries/3DPX-003497

Description: Hexahelicene is a helicene.

---

1251. peptide_bond_motif

Link: https://3d.nih.gov/entries/3DPX-003500

Description: No description available

---

1252. CA_generic

Link: https://3d.nih.gov/entries/3DPX-003501

Description: No description available

---

1253. CA_Gly

Link: https://3d.nih.gov/entries/3DPX-003502

Description: No description available

---

1254. pre_Pro

Link: https://3d.nih.gov/entries/3DPX-003503

Description: No description available

---

1255. pre_Pro_noH

Link: https://3d.nih.gov/entries/3DPX-003504

Description: No description available

---

1256. kepone1

Link: https://3d.nih.gov/entries/3DPX-003505

Description: No description available

---

1257. kepone2

Link: https://3d.nih.gov/entries/3DPX-003506

Description: No description available

---

1258. kepone10

Link: https://3d.nih.gov/entries/3DPX-003507

Description: No description available

---

1259. mirex1

Link: https://3d.nih.gov/entries/3DPX-003508

Description: No description available

---

1260. mirex2

Link: https://3d.nih.gov/entries/3DPX-003509

Description: No description available

---

1261. mirex10

Link: https://3d.nih.gov/entries/3DPX-003510

Description: No description available

---

1262. Thiamine

Link: https://3d.nih.gov/entries/3DPX-003511

Description: Thiamine(1+) is a primary alcohol that is 1,3-thiazol-3-ium substituted by (4-amino-2-methylpyrimidin-5-yl)methyl, methyl and 2-hydroxyethyl groups at positions 3, 4 and 5, respectively. It has a r...

---

1263. Nicotinic acid

Link: https://3d.nih.gov/entries/3DPX-003512

Description: Nicotinic acid is a pyridinemonocarboxylic acid that is pyridine in which the hydrogen at position 3 is replaced by a carboxy group. It has a role as an antidote, an antilipemic drug, a vasodilator...

---

1264. Pyridoxine

Link: https://3d.nih.gov/entries/3DPX-003513

Description: Pyridoxine is a hydroxymethylpyridine with hydroxymethyl groups at positions 4 and 5, a hydroxy group at position 3 and a methyl group at position 2. The 4-methanol form of vitamin B6, it is conver...

---

1265. Dibromoanthracene2

Link: https://3d.nih.gov/entries/3DPX-003520

Description: No description available

---

1266. Nitrous Oxide

Link: https://3d.nih.gov/entries/3DPX-003530

Description: Dinitrogen oxide is a nitrogen oxide consisting of linear unsymmetrical molecules with formula N2O. While it is the most used gaseous anaesthetic in the world, its major commercial use, due to its ...

---

1267. BDT-TPD

Link: https://3d.nih.gov/entries/3DPX-003532

Description: benzodithiophene (BDT) and thieno[3,4-c]pyrrole-4,6-dione (TPD)

---

1268. PCBM

Link: https://3d.nih.gov/entries/3DPX-003533

Description: No description available

---

1269. Hydroxyzine

Link: https://3d.nih.gov/entries/3DPX-003534

Description: Hydroxyzine is a N-alkylpiperazine that is piperzine in which the nitrogens atoms are substituted by 2-(2-hydroxyethoxy)ethyl and (4-chlorophenyl)(phenyl)methyl groups respectively. It has a role a...

---

1270. Hydrogen sulfite

Link: https://3d.nih.gov/entries/3DPX-003535

Description: Hydrogensulfite is a sulfur oxoanion. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is a conjugate base of a sulfurous acid. It is a conjugat...

---

1271. Diosmin

Link: https://3d.nih.gov/entries/3DPX-003539

Description: Diosmin is a disaccharide derivative that consists of diosmetin substituted by a 6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It has a role as ...

---

1272. Cyclohexanecarboxamide, n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl-

Link: https://3d.nih.gov/entries/3DPX-003540

Description: N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-N-(2-pyridinyl)cyclohexanecarboxamide is a member of piperazines.

---

1273. (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one

Link: https://3d.nih.gov/entries/3DPX-003541

Description: (2S)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[[(2S,4R,5S)-3,4,5-trihydroxy-6-[[(2R,4S,5R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxymethyl]-2-oxanyl]oxy]-3,4-dihydro-2H-1-benzopyran-4-one is a glycos...

---

1274. 3-P3HT

Link: https://3d.nih.gov/entries/3DPX-003542

Description: No description available

---

1275. Flouro Tag

Link: https://3d.nih.gov/entries/3DPX-003545

Description: No description available

---

1276. silicene

Link: https://3d.nih.gov/entries/3DPX-003551

Description: No description available

---

1277. Dolutegravir

Link: https://3d.nih.gov/entries/3DPX-003554

Description: Dolutegravir is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of (4R,12aS)-7-hydroxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-...

---

1278. Raltegravir

Link: https://3d.nih.gov/entries/3DPX-003555

Description: Raltegravir is a pyrimidone that is pyrimidin-4(3H)-one in which the hydrogens at positions 2, 3, 5 and 6 are replaced by 2-[(5-methyl-1,3,4-oxadiazole-2-carbonyl)amino]propan-2-yl, methyl, hydroxy...

---

1279. Elvitegravir

Link: https://3d.nih.gov/entries/3DPX-003556

Description: Elvitegravir is a quinolinemonocarboxylic acid that is 7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid substited at position 1 by a 1-hydroxy-3-methylbutan-2-yl group and at position 6 by a ...

---

1280. 7-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-5-olate

Link: https://3d.nih.gov/entries/3DPX-003558

Description: No description available

---

1281. Benzoic acid, 2-hydroxy-4,6-dimethyl, DTBS

Link: https://3d.nih.gov/entries/3DPX-003559

Description: No description available

---

1282. Astragalin

Link: https://3d.nih.gov/entries/3DPX-003560

Description: Kaempferol 3-O-beta-D-glucoside is a kaempferol O-glucoside in which a glucosyl residue is attached at position 3 of kaempferol via a beta-glycosidic linkage. It has a role as a trypanocidal drug a...

---

1283. Kaempferol 3-O-D-galactoside

Link: https://3d.nih.gov/entries/3DPX-003561

Description: No description available

---

1284. Kaempferol 3-O-arabinoside

Link: https://3d.nih.gov/entries/3DPX-003562

Description: Kaempferol 3-O-arabinoside is a member of flavonoids and a glycoside.

---

1285. Isoquercitrin

Link: https://3d.nih.gov/entries/3DPX-003563

Description: Quercetin 3-O-beta-D-glucopyranoside is a quercetin O-glucoside that is quercetin with a beta-D-glucosyl residue attached at position 3. Isolated from Lepisorus contortus, it exhibits antineoplasti...

---

1286. Hyperoside

Link: https://3d.nih.gov/entries/3DPX-003564

Description: Quercetin 3-O-beta-D-galactopyranoside is a quercetin O-glycoside that is quercetin with a beta-D-galactosyl residue attached at position 3. Isolated from Artemisia capillaris, it exhibits hepatopr...

---

1287. Quercitrin

Link: https://3d.nih.gov/entries/3DPX-003565

Description: Quercitrin is a quercetin O-glycoside that is quercetin substituted by a alpha-L-rhamnosyl moiety at position 3 via a glycosidic linkage. It has a role as an antioxidant, an antileishmanial agent, ...

---

1288. Guaijaverin

Link: https://3d.nih.gov/entries/3DPX-003566

Description: No description available

---

1289. Kaempferol 3-O-xylosyl-glucoside

Link: https://3d.nih.gov/entries/3DPX-003567

Description: No description available

---

1290. test1

Link: https://3d.nih.gov/entries/3DPX-003568

Description: No description available

---

1291. Rutin

Link: https://3d.nih.gov/entries/3DPX-003569

Description: Rutin is a rutinoside that is quercetin with the hydroxy group at position C-3 substituted with glucose and rhamnose sugar groups. It has a role as a metabolite and an antioxidant. It is a disaccha...

---

1292. Caffeine-trimethyl-13C3

Link: https://3d.nih.gov/entries/3DPX-003570

Description: Caffeine-trimethyl-13C3 is an oxopurine.

---

1293. Quercetin 3-gentiobioside

Link: https://3d.nih.gov/entries/3DPX-003571

Description: Quercetin 3-beta-gentiobioside is a quercetin O-glycoside in which the hydroxy hydrogen at position 3 of quercetin has been replaced by a gentiobiosyl group. It has a role as a Brassica napus metab...

---

1294. Quercetin 3-sambubioside

Link: https://3d.nih.gov/entries/3DPX-003572

Description: Quercetin 3-O-[beta-D-xylosyl-(1->2)-beta-D-glucoside] is a quercetin O-glucoside that is quercetin attached to a beta-D-sambubiosyl residue at position 3 via a glycosidc linkage. It has a role as ...

---

1295. Kaempferol 3,4'-dixyloside

Link: https://3d.nih.gov/entries/3DPX-003573

Description: No description available

---

1296. Quercetin 3-glucosyl-(1->2)-xyloside

Link: https://3d.nih.gov/entries/3DPX-003574

Description: No description available

---

1297. alpha amanitin

Link: https://3d.nih.gov/entries/3DPX-003578

Description: No description available

---

1298. Inositol

Link: https://3d.nih.gov/entries/3DPX-003583

Description: Myo-inositol is an inositol having myo- configuration. It has a role as a member of compatible osmolytes, a nutrient, an EC 3.1.4.11 (phosphoinositide phospholipase C) inhibitor, a human metabolite...

---

1299. 3,4-Methylenedioxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-003601

Description: 3,4-methylenedioxymethamphetamine is a member of the class of benzodioxoles that is 1,3-benzodioxole substituted by a 2-(methylamino)propyl group at position 5. It has a role as a neurotoxin. It is...

---

1300. Heroin

Link: https://3d.nih.gov/entries/3DPX-003602

Description: Heroin is a morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Fr...

---

1301. Ketamine

Link: https://3d.nih.gov/entries/3DPX-003603

Description: Ketamine is a member of the class of cyclohexanones in which one of the hydrogens at position 2 is substituted by a 2-chlorophenyl group, while the other is substituted by a methylamino group. It h...

---

1302. 4hmz

Link: https://3d.nih.gov/entries/3DPX-003621

Description: No description available

---

1303. Etoposide

Link: https://3d.nih.gov/entries/3DPX-003622

Description: Etoposide is a beta-D-glucoside, a furonaphthodioxole and an organic heterotetracyclic compound. It has a role as an antineoplastic agent and a DNA synthesis inhibitor. It is functionally related t...

---

1304. Carbon Nanotube 3,3

Link: https://3d.nih.gov/entries/3DPX-003624

Description: Carbon nanotube, 4 rings in length, 3 rings in circumference

---

1305. Carbon Nanotube_9,5

Link: https://3d.nih.gov/entries/3DPX-003626

Description: Carbon Nanotube, 5 rings in circumference, 9 rings in length

---

1306. Nanotube_20,5

Link: https://3d.nih.gov/entries/3DPX-003627

Description: Carbon Nanotube, 5 rings in circumference, 20 rings in length

---

1307. Glucose

Link: https://3d.nih.gov/entries/3DPX-009525

Description: No description available

---

1308. Testing small molecule

Link: https://3d.nih.gov/entries/3DPX-009531

Description: No description available

---

1309. [Ir{dF(CF3)2ppy}2(bpy)]PF6

Link: https://3d.nih.gov/entries/3DPX-009536

Description: Iridium photocatalyst

---

1310. [Ir{dF(CF3)2ppy}2(bpy)]

Link: https://3d.nih.gov/entries/3DPX-009539

Description: Iridium coordination complex used as a photocatalyst

---

1311. D-Glucose

Link: https://3d.nih.gov/entries/3DPX-009541

Description: No description available

---

1312. D-Xylose

Link: https://3d.nih.gov/entries/3DPX-009542

Description: No description available

---

1313. Syringyl Alcohol

Link: https://3d.nih.gov/entries/3DPX-009543

Description: No description available

---

1314. Furfuraldehyde

Link: https://3d.nih.gov/entries/3DPX-009544

Description: No description available

---

1315. 2-hydroxyethyl methacrylate

Link: https://3d.nih.gov/entries/3DPX-009545

Description: 2-hydroxyethyl methacrylate

---

1316. OligoUlvanDP4

Link: https://3d.nih.gov/entries/3DPX-009551

Description: No description available

---

1317. Fluticasone

Link: https://3d.nih.gov/entries/3DPX-009552

Description: Fluticasone is a trifluorinated corticosteroid used in the form of its propionate ester for treatment of allergic rhinitis. It has a role as an anti-allergic agent and an anti-asthmatic drug. It is...

---

1318. AFB1

Link: https://3d.nih.gov/entries/3DPX-009556

Description: No description available

---

1319. Glyoxal

Link: https://3d.nih.gov/entries/3DPX-009590

Description: Glyoxal is the dialdehyde that is the smallest possible and which consists of ethane having oxo groups on both carbons. It has a role as a pesticide, an agrochemical, an allergen and a plant growth...

---

1320. 3,4-Diethylhexane

Link: https://3d.nih.gov/entries/3DPX-009591

Description: No description available

---

1321. cis-1,2-Dimethylcyclopropane

Link: https://3d.nih.gov/entries/3DPX-009592

Description: No description available

---

1322. trans-1,2-Dimethylcyclopropane

Link: https://3d.nih.gov/entries/3DPX-009593

Description: No description available

---

1323. 1,6-Heptadiyne

Link: https://3d.nih.gov/entries/3DPX-009594

Description: No description available

---

1324. Decahydronaphthalene

Link: https://3d.nih.gov/entries/3DPX-009605

Description: Decalin is an ortho-fused bicyclic hydrocarbon that is the decahydro- derivative of naphthalene. It has a role as a solvent.

---

1325. Artesunate

Link: https://3d.nih.gov/entries/3DPX-009629

Description: LSM-5859 is an artemisinin derivative and a hemisuccinate.

---

1326. Bis Silylene Complex

Link: https://3d.nih.gov/entries/3DPX-009631

Description: No description available

---

1327. Bridging binuclear

Link: https://3d.nih.gov/entries/3DPX-009632

Description: No description available

---

1328. 3,3',4',5,5',7-Hexahydroxyflavylium

Link: https://3d.nih.gov/entries/3DPX-009642

Description: Delphinidin is an anthocyanidin cation consisting of benzopyrylium with hydroxy substituents at the 3-, 5- and 7-positions and a 3,4,5-trihydroxyphenyl group at the 2-position. It is a plant pigmen...

---

1329. 1,2-Dichlorobenzene

Link: https://3d.nih.gov/entries/3DPX-009653

Description: 1,2-dichlorobenzene is a dichlorobenzene carrying chloro substituents at positions 1 and 2. It has a role as a hepatotoxic agent and a metabolite.

---

1330. Protonated Serine Octamer

Link: https://3d.nih.gov/entries/3DPX-009654

Description: No description available

---

1331. Ser8+2Cl-

Link: https://3d.nih.gov/entries/3DPX-009656

Description: No description available

---

1332. Ser8+2Cl- HB

Link: https://3d.nih.gov/entries/3DPX-009658

Description: No description available

---

1333. Protonated Serine Octamer HB

Link: https://3d.nih.gov/entries/3DPX-009662

Description: No description available

---

1334. Eugenin

Link: https://3d.nih.gov/entries/3DPX-009670

Description: Eugenin is a member of the class of chromones that is chromone substituted by a hydroxy group at position 5, a methoxy group at position 7 and a methyl group at position 2. It has been isolated fro...

---

1335. delta7-Avenasterol

Link: https://3d.nih.gov/entries/3DPX-009671

Description: delta7-Avenasterol is an intermediate in the biosynthesis of steroids (KEGG ID C15782). It is the 4th to last step in the synthesis of Stigmasterol and is converted from 24-Ethylidenelophenol. It i...

---

1336. Test

Link: https://3d.nih.gov/entries/3DPX-009675

Description: No description available

---

1337. (2-Cyclohexylethyl)(methyl)amine

Link: https://3d.nih.gov/entries/3DPX-009691

Description: No description available

---

1338. Oxytocin

Link: https://3d.nih.gov/entries/3DPX-009692

Description: No description available

---

1339. Bis(2-hydroxyethyl) terephthalate

Link: https://3d.nih.gov/entries/3DPX-009693

Description: No description available

---

1340. Bromophenol blue

Link: https://3d.nih.gov/entries/3DPX-009694

Description: A dye that has been used as an industrial dye, a laboratory indicator, and a biological stain.

---

1341. Bromothymol blue

Link: https://3d.nih.gov/entries/3DPX-009696

Description: Bromothymol blue is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-isopr...

---

1342. Propofol

Link: https://3d.nih.gov/entries/3DPX-009701

Description: No description available

---

1343. Morphine

Link: https://3d.nih.gov/entries/3DPX-009702

Description: No description available

---

1344. Propofol

Link: https://3d.nih.gov/entries/3DPX-009707

Description: Propofol is a phenol resulting from the formal substitution of the hydrogen at the 2 position of 1,3-diisopropylbenzene by a hydroxy group. It has a role as an intravenous anaesthetic, a sedative, ...

---

1345. methyl (3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate

Link: https://3d.nih.gov/entries/3DPX-009708

Description: No description available

---

1346. 2-[(1R,2R,3S,4R,5R,6S)-3-(diaminomethylideneamino)-4-[(2S,3S,4S,5R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(methylamino)oxan-2-yl]oxy-4-formyl-4-hydroxy-5-methyloxolan-2-yl]oxy-2,5,6-trihydroxycyclohexyl]guanidine

Link: https://3d.nih.gov/entries/3DPX-009709

Description: Streptomycin Sulfate is the sulfate salt form of streptomycin, an aminoglycoside antibiotic derived from Streptomyces griseus with antibacterial property. Streptomycin sulfate binds to the S12 prot...

---

1347. 2,3,4-Trinitrotoluene

Link: https://3d.nih.gov/entries/3DPX-009711

Description: No description available

---

1348. Pentaerythritol tetranitrate

Link: https://3d.nih.gov/entries/3DPX-009712

Description: Pentaerythritol tetranitrate is a pentaerythritol nitrate in which all four hydroxy groups of pentaerythritol have been converted to the corresponding nitrate ester. It is a vasodilator with proper...

---

1349. Hexamethylenetriperoxidediamine

Link: https://3d.nih.gov/entries/3DPX-009713

Description: No description available

---

1350. Triacetone triperoxide

Link: https://3d.nih.gov/entries/3DPX-009714

Description: No description available

---

1351. D-limonene

Link: https://3d.nih.gov/entries/3DPX-009720

Description: No description available

---

1352. bis(benzene) Chromium

Link: https://3d.nih.gov/entries/3DPX-009721

Description: No description available

---

1353. Ibuprofen

Link: https://3d.nih.gov/entries/3DPX-009725

Description: No description available

---

1354. 4TNA

Link: https://3d.nih.gov/entries/3DPX-009726

Description: No description available

---

1355. MethylSilicene

Link: https://3d.nih.gov/entries/3DPX-009727

Description: No description available

---

1356. Beta-Carotene

Link: https://3d.nih.gov/entries/3DPX-009730

Description: Beta-carotene is a cyclic carotene obtained by dimerisation of all-trans-retinol. A strongly-coloured red-orange pigment abundant in plants and fruit and the most active and important provitamin A ...

---

1357. FSI Anion

Link: https://3d.nih.gov/entries/3DPX-009734

Description: No description available

---

1358. TFSI Anion

Link: https://3d.nih.gov/entries/3DPX-009735

Description: No description available

---

1359. FA Molecule

Link: https://3d.nih.gov/entries/3DPX-009738

Description: No description available

---

1360. ZnO Nanotube

Link: https://3d.nih.gov/entries/3DPX-009739

Description: No description available

---

1361. BNNT

Link: https://3d.nih.gov/entries/3DPX-009741

Description: No description available

---

1362. BNNS

Link: https://3d.nih.gov/entries/3DPX-009742

Description: No description available

---

1363. Anthraquinone

Link: https://3d.nih.gov/entries/3DPX-009744

Description: No description available

---

1364. Linalool

Link: https://3d.nih.gov/entries/3DPX-009748

Description: No description available

---

1365. S-Linalool

Link: https://3d.nih.gov/entries/3DPX-009750

Description: No description available

---

1366. Clopidogrel

Link: https://3d.nih.gov/entries/3DPX-009753

Description: No description available

---

1367. Methamphetamine

Link: https://3d.nih.gov/entries/3DPX-009754

Description: No description available

---

1368. Atracurium

Link: https://3d.nih.gov/entries/3DPX-009755

Description: No description available

---

1369. Rapacuronium

Link: https://3d.nih.gov/entries/3DPX-009756

Description: No description available

---

1370. Pancuronium

Link: https://3d.nih.gov/entries/3DPX-009757

Description: No description available

---

1371. LSD

Link: https://3d.nih.gov/entries/3DPX-009758

Description: No description available

---

1372. Cannabidiol

Link: https://3d.nih.gov/entries/3DPX-009759

Description: No description available

---

1373. Tetrahydrocannabinol

Link: https://3d.nih.gov/entries/3DPX-009760

Description: No description available

---

1374. Russian VX

Link: https://3d.nih.gov/entries/3DPX-009761

Description: VR nerve agent is a organic thiophosphate that is the isobutyl ester of S-[2-(diethylamino)ethyl] O hydrogen methylphosphonothioate. A toxic nerve agent developed by the former Soviet Union. It has...

---

1375. Risperidone

Link: https://3d.nih.gov/entries/3DPX-009767

Description: Risperidone is a member of the class of pyridopyrimidines that is 2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one carrying an additional 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]et...

---

1376. Fentanyl

Link: https://3d.nih.gov/entries/3DPX-009783

Description: No description available

---

1377. Ketamine

Link: https://3d.nih.gov/entries/3DPX-009784

Description: No description available

---

1378. Calcimycin

Link: https://3d.nih.gov/entries/3DPX-009799

Description: No description available

---

1379. Afimoxifen

Link: https://3d.nih.gov/entries/3DPX-009808

Description: Afimoxifen is a breast cancer drug.

---

1380. Nitrit de sodi

Link: https://3d.nih.gov/entries/3DPX-009816

Description: No description available

---

1381. Glutamat monosòdic

Link: https://3d.nih.gov/entries/3DPX-009817

Description: No description available

---

1382. Àcid ascorbic

Link: https://3d.nih.gov/entries/3DPX-009818

Description: No description available

---

1383. Aspartam

Link: https://3d.nih.gov/entries/3DPX-009819

Description: No description available

---

1384. Sacarina

Link: https://3d.nih.gov/entries/3DPX-009820

Description: No description available

---

1385. raltegravir

Link: https://3d.nih.gov/entries/3DPX-009832

Description: No description available

---

1386. Abacavir

Link: https://3d.nih.gov/entries/3DPX-009834

Description: No description available

---

1387. Zidovudine

Link: https://3d.nih.gov/entries/3DPX-009841

Description: No description available

---

1388. Zidovudine

Link: https://3d.nih.gov/entries/3DPX-009842

Description: No description available

---

1389. 7-cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine

Link: https://3d.nih.gov/entries/3DPX-009845

Description: BMS-214662 is a member of the class of benzodiazepines that is 2,3,4,5-tetrahydro-1H-1,4-benzodiazepine substituted by (1H-imidazol-5-yl)methyl, benzyl, (thiophen-2-yl)sulfonyl, and cyano groups at...

---

1390. Zach Attempt

Link: https://3d.nih.gov/entries/3DPX-009850

Description: No description available

---

1391. N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]-2-methoxybenzamide

Link: https://3d.nih.gov/entries/3DPX-009856

Description: No description available

---

1392. 2-(1-Phenyl-2,5-dioxopyrrolidine-3-yl)-2-methylpropanal

Link: https://3d.nih.gov/entries/3DPX-009857

Description: No description available

---

1393. Cefuroxime

Link: https://3d.nih.gov/entries/3DPX-009859

Description: No description available

---

1394. Ethanesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-009890

Description: Ethanesulfonic acid is an alkanesulfonic acid in which the alkyl group directly linked to the sulfo functionality is ethyl. It is a conjugate acid of an ethanesulfonate.

---

1395. n-HEXANE

Link: https://3d.nih.gov/entries/3DPX-009891

Description: Hexane is an unbranched alkane containing six carbon atoms. It has a role as a non-polar solvent and a neurotoxin. It is an alkane and a volatile organic compound.

---

1396. diamantane

Link: https://3d.nih.gov/entries/3DPX-009906

Description: No description available

---

1397. Diazepam

Link: https://3d.nih.gov/entries/3DPX-009921

Description: No description available

---

1398. Diacetylmorphine (heroin)

Link: https://3d.nih.gov/entries/3DPX-009922

Description: No description available

---

1399. Cocaine

Link: https://3d.nih.gov/entries/3DPX-009923

Description: No description available

---

1400. Digoxin

Link: https://3d.nih.gov/entries/3DPX-009924

Description: No description available

---

1401. Zolpidem

Link: https://3d.nih.gov/entries/3DPX-009925

Description: No description available

---

1402. Zopiclone

Link: https://3d.nih.gov/entries/3DPX-009926

Description: No description available

---

1403. saquinavir

Link: https://3d.nih.gov/entries/3DPX-009927

Description: No description available

---

1404. Dimethyltryptamine

Link: https://3d.nih.gov/entries/3DPX-009936

Description: No description available

---

1405. Anthracene

Link: https://3d.nih.gov/entries/3DPX-009938

Description: ANTHRACENE is a white to yellow solid with a weak aromatic odor. Sinks in water. (USCG, 1999)

---

1406. 2-Methyl-5-nitrobenzenesulfonyl chloride

Link: https://3d.nih.gov/entries/3DPX-009941

Description: No description available

---

1407. Adrenaline

Link: https://3d.nih.gov/entries/3DPX-009955

Description: No description available

---

1408. Betulin

Link: https://3d.nih.gov/entries/3DPX-009959

Description: Betulin is a pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-hydroxymethyl substituents. It has a role as a metabolite, an antiviral ...

---

1409. Saquinavir

Link: https://3d.nih.gov/entries/3DPX-009962

Description: No description available

---

1410. p-ChloroBenzylBpin

Link: https://3d.nih.gov/entries/3DPX-009963

Description: No description available

---

1411. Atropine

Link: https://3d.nih.gov/entries/3DPX-009967

Description: Atropine is a racemate composed of equimolar concentrations of (S)- and (R)-atropine. It is obtained from deadly nightshade (Atropa belladonna) and other plants of the family Solanaceae. It has a r...

---

1412. Trans dichloro bis-ethylenediamine-cobalt III azide

Link: https://3d.nih.gov/entries/3DPX-009974

Description: No description available

---

1413. Trans dichloro bis-ethylenediamine-cobalt III azide

Link: https://3d.nih.gov/entries/3DPX-009975

Description: No description available

---

1414. Trans dichloro bis-ethylenediamine-cobalt III azide

Link: https://3d.nih.gov/entries/3DPX-009976

Description: No description available

---

1415. trans-1,2-Dichloroethylene

Link: https://3d.nih.gov/entries/3DPX-009977

Description: 1,2-dichloroethene is a member of chloroethenes.

---

1416. 1,4 dibromobenzene

Link: https://3d.nih.gov/entries/3DPX-009980

Description: No description available

---

1417. Ammonia

Link: https://3d.nih.gov/entries/3DPX-009982

Description: No description available

---

1418. Englerin A TEST

Link: https://3d.nih.gov/entries/3DPX-009983

Description: No description available

---

1419. Visnagin

Link: https://3d.nih.gov/entries/3DPX-009990

Description: Visnagin is a furanochromone that is furo[3,2-g]chromen-5-one which is substituted at positions 4 and 7 by methoxy and methyl groups, respectively. Found in the toothpick-plant, Ammi visnaga. It ha...

---

1420. (8beta)-9,10-Didehydro-6-methylergoline-8-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-009991

Description: Lysergic acid is an ergoline alkaloid comprising 6-methylergoline having additional unsaturation at the 9,10-position and a carboxy group at the 8-position. It derives from a hydride of a 6-methyle...

---

1421. Lithium Phenyl(2,4,6-trimethylbenzoyl)phosphinate

Link: https://3d.nih.gov/entries/3DPX-018251

Description: Lithium phenyl (2,4,6-trimethylbenzoyl)phosphinate (LAP) is a photo-initiator which is commonly used to initiate free radical polymerization in 3D bioprinting applications.

---

1422. Rhodamine B (Spirolactone)

Link: https://3d.nih.gov/entries/3DPX-018254

Description: Rhodamine B is a fluorescent dye with various applications in cell biology and fluorescence microscopy. In solution, its non-fluorescent spirolactone form is far less abundant than the favorab...

---

1423. Rhodamine B (Spirolactone)

Link: https://3d.nih.gov/entries/3DPX-018257

Description: Rhodamine B is a fluorescent dye with various applications in cell biology and fluorescence microscopy. In solution, its non-fluorescent spirolactone form is far less abundant than the favorab...

---

1424. Enzalutamide

Link: https://3d.nih.gov/entries/3DPX-018275

Description: Enzalutamide is a benzamide obtained by formal condensation of the carboxy group of 4-{3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl}-2-fluorobenzoic acid with ...

---

1425. Lidocaine

Link: https://3d.nih.gov/entries/3DPX-018281

Description: Lidocaine is the monocarboxylic acid amide resulting from the formal condensation of N,N-diethylglycine with 2,6-dimethylaniline. It has a role as a local anaesthetic, an anti-arrhythmia drug, an e...

---

1426. Ammelide_Ammeline_Hexad

Link: https://3d.nih.gov/entries/3DPX-018285

Description: No description available

---

1427. Amm_Amm2

Link: https://3d.nih.gov/entries/3DPX-018286

Description: No description available

---

1428. D-Glucose

Link: https://3d.nih.gov/entries/3DPX-001829

Description: D-glucopyranose is a glucopyranose having D-configuration. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is a...

---

1429. Nitroxoline

Link: https://3d.nih.gov/entries/3DPX-018292

Description: Nitroxoline is a monohydroxyquinoline in which the hydroxy group is positioned at C-8 with a nitro group trans to it at C-5. It has a role as an antimicrobial agent, an antifungal agent, a renal ag...

---

1430. Phenyl Salicylate

Link: https://3d.nih.gov/entries/3DPX-018294

Description: No description available

---

1431. Sulfaquinoxaline

Link: https://3d.nih.gov/entries/3DPX-001830

Description: 4-amino-N-(2-quinoxalinyl)benzenesulfonamide is a sulfonamide and a member of benzenes.

---

1432. Bistetracene1

Link: https://3d.nih.gov/entries/3DPX-001831

Description: a covalent bistetracene dimer for exploration of singlet fission. see discussion in: Alguire, E. C.; Subotnik, J. E.; Damrauer, N. H. Exploring Non-Condon Effects in a Covalent Tetracene Dimer: How...

---

1433. 6,13-Bis(triisopropylsilylethynyl)pentacene

Link: https://3d.nih.gov/entries/3DPX-001832

Description: No description available

---

1434. 3-Hexyl-2,5-dimethylthiophene

Link: https://3d.nih.gov/entries/3DPX-001833

Description: No description available

---

1435. Piperine

Link: https://3d.nih.gov/entries/3DPX-001834

Description: Piperine is a N-acylpiperidine that is piperidine substituted by a (1E,3E)-1-(1,3-benzodioxol-5-yl)-5-oxopenta-1,3-dien-5-yl group at the nitrogen atom. It is an alkaloid isolated from the plant Pi...

---

1436. Alanine, 3-((beta-hydroxyphenethyl)thio)-, L-

Link: https://3d.nih.gov/entries/3DPX-001835

Description: No description available

---

1437. Lactic Acid

Link: https://3d.nih.gov/entries/3DPX-001836

Description: 2-hydroxypropanoic acid is a 2-hydroxy monocarboxylic acid that is propanoic acid in which one of the alpha-hydrogens is replaced by a hydroxy group. It has a role as a Daphnia magna metabolite and...

---

1438. Kerogen 100

Link: https://3d.nih.gov/entries/3DPX-001840

Description: No description available

---

1439. Nylidrin

Link: https://3d.nih.gov/entries/3DPX-001841

Description: 4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol is an alkylbenzene.

---

1440. Acetylphosphate

Link: https://3d.nih.gov/entries/3DPX-001853

Description: Acetyl dihydrogen phosphate is an acyl monophosphate in which the acyl group specified is acetyl. It has a role as an Escherichia coli metabolite, a human metabolite and a mouse metabolite. It is a...

---

1441. 5,10,15,20-Tetraphenyl-21,22-dihydroporphyrin

Link: https://3d.nih.gov/entries/3DPX-001854

Description: No description available

---

1442. Nylon 6, poly-N-nitroso-

Link: https://3d.nih.gov/entries/3DPX-001855

Description: No description available

---

1443. CID 49881928

Link: https://3d.nih.gov/entries/3DPX-001856

Description: No description available

---

1444. Glucose

Link: https://3d.nih.gov/entries/3DPX-001863

Description: No description available

---

1445. Cellulase

Link: https://3d.nih.gov/entries/3DPX-001864

Description: Beta-cellotriose is a cellotriose with a beta-configuration at the anomeric position.

---

1446. Nitrogen

Link: https://3d.nih.gov/entries/3DPX-001865

Description: Dinitrogen is an elemental molecule consisting of two trivalently-bonded nitrogen atoms. It has a role as a member of food packaging gas and a food propellant. It is a diatomic nitrogen, a gas mole...

---

1447. Nitrogen PubChem CID 947

Link: https://3d.nih.gov/entries/3DPX-001867

Description: No description available

---

1448. Caprolactam

Link: https://3d.nih.gov/entries/3DPX-001869

Description: Epsilon-caprolactam is a member of the class of caprolactams that is azepane substituted by an oxo group at position 2. It has a role as a human blood serum metabolite.

---

1449. 3-[[(3R,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl]amino]propan-1-ol

Link: https://3d.nih.gov/entries/3DPX-001870

Description: No description available

---

1450. 1,4-Benzoquinone

Link: https://3d.nih.gov/entries/3DPX-001872

Description: 1,4-benzoquinone is the simplest member of the class of 1,4-benzoquinones, obtained by the formal oxidation of hydroquinone to the corresponding diketone. It is a metabolite of benzene. It has a ro...

---

1451. Ammonia

Link: https://3d.nih.gov/entries/3DPX-001876

Description: Ammonia is an azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. It has a role as a nucleophilic reagent, a neurotoxin, a metabolite, an EC 3.5.1.4 (amidase) i...

---

1452. N,N-Dimethyltryptamine

Link: https://3d.nih.gov/entries/3DPX-001878

Description: N,N-dimethyltryptamine is a tryptamine derivative having two N-methyl substituents on the side-chain. It is a tryptamine alkaloid and a member of tryptamines. It is functionally related to a trypta...

---

1453. Carbon Dioxide

Link: https://3d.nih.gov/entries/3DPX-001879

Description: Carbon dioxide is a one-carbon compound with formula CO2 in which the carbon is attached to each oxygen atom by a double bond. A colourless, odourless gas under normal conditions, it is produced du...

---

1454. Methane-Pubchem 297

Link: https://3d.nih.gov/entries/3DPX-001880

Description: No description available

---

1455. nitrodopamine

Link: https://3d.nih.gov/entries/3DPX-001881

Description: No description available

---

1456. Lysergide

Link: https://3d.nih.gov/entries/3DPX-001885

Description: Lysergic acid diethylamide is an ergoline alkaloid arising from formal condensation of lysergic acid with diethylamine. It has a role as a hallucinogen, a serotonergic agonist and a dopamine agonis...

---

1457. Serotonin

Link: https://3d.nih.gov/entries/3DPX-001886

Description: Serotonin is a primary amino compound that is the 5-hydroxy derivative of tryptamine. It has a role as a human metabolite, a mouse metabolite and a neurotransmitter. It is a monoamine molecular mes...

---

1458. para-hydroxypyclen

Link: https://3d.nih.gov/entries/3DPX-001888

Description: Developed by the Kayla Green Group at Texas Christian University. Uploaded by Collin Davda

---

1459. acetonitrile

Link: https://3d.nih.gov/entries/3DPX-001889

Description: Acetonitrile has many uses, including as a solvent, for spinning fibers, and in lithium batteries. It is primarily found in air from automobile exhaust and manufacturing facilities. Acute (short-te...

---

1460. Aspirin

Link: https://3d.nih.gov/entries/3DPX-001891

Description: Acetylsalicylic acid is a member of the class of benzoic acids that is salicylic acid in which the hydrogen that is attached to the phenolic hydroxy group has been replaced by an acetoxy group. A n...

---

1461. Sulfur trioxide

Link: https://3d.nih.gov/entries/3DPX-001894

Description: Sulfur trioxide is a sulfur oxide.

---

1462. para-hydroxypyclen

Link: https://3d.nih.gov/entries/3DPX-001898

Description: Developed by the Kayla Green Group at Texas Christian University

---

1463. CID 450320

Link: https://3d.nih.gov/entries/3DPX-001906

Description: No description available

---

1464. Tyrosylprolylphenylalanylprolinamide

Link: https://3d.nih.gov/entries/3DPX-001921

Description: No description available

---

1465. ATSP-7041

Link: https://3d.nih.gov/entries/3DPX-001939

Description: No description available

---

1466. jq1

Link: https://3d.nih.gov/entries/3DPX-001940

Description: No description available

---

1467. Perylene

Link: https://3d.nih.gov/entries/3DPX-001943

Description: Perylene is an ortho- and peri-fused polycyclic arene comprising of five benzene rings that is anthracene in which the d,e and k,l sides are fused to benzene rings. It is an ortho- and peri-fused p...

---

1468. p-Hydroxy rosiglitazone

Link: https://3d.nih.gov/entries/3DPX-001950

Description: No description available

---

1469. 1-Cyclohexyl-3-((4-(2-(((6-methylpyrazin-2-yl)carbonyl)amino)ethyl)phenyl)sulfonyl)urea

Link: https://3d.nih.gov/entries/3DPX-001957

Description: No description available

---

1470. Clofenotane

Link: https://3d.nih.gov/entries/3DPX-001982

Description: DDT is a chlorophenylethane that is 1,1,1-trichloro-2,2-diphenylethane substituted by additional chloro substituents at positions 4 of the phenyl substituents. It is a commonly used organochlorine ...

---

1471. Pyriproxyfen

Link: https://3d.nih.gov/entries/3DPX-001983

Description: Pyriproxyfen is an aromatic ether that consists of propylene glycol having a 2-pyridyl group at the O-1 position and a 4-phenoxyphenyl group at the O-3 position. It has a role as a juvenile hormone...

---

1472. methyl (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate

Link: https://3d.nih.gov/entries/3DPX-001984

Description: Juvenile hormone III is a member of the juvenile hormone family of compounds that is the methyl ester of (2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoic acid. Juvenile hormone...

---

1473. Chloromethane

Link: https://3d.nih.gov/entries/3DPX-001996

Description: No description available

---

1474. dichloropropane

Link: https://3d.nih.gov/entries/3DPX-001997

Description: No description available

---

1475. chlorobenzene

Link: https://3d.nih.gov/entries/3DPX-001998

Description: No description available

---

1476. dichlorobutane

Link: https://3d.nih.gov/entries/3DPX-001999

Description: No description available

---

1477. Caffeine

Link: https://3d.nih.gov/entries/3DPX-002000

Description: No description available

---

1478. Poly DA-DT

Link: https://3d.nih.gov/entries/3DPX-020008

Description: No description available

---

1479. Amylose helix

Link: https://3d.nih.gov/entries/3DPX-002001

Description: From PDB file 1C58

---

1480. N-benzyl-N-methyl-1,2-benzothiazol-3-amine 1,1-dioxide

Link: https://3d.nih.gov/entries/3DPX-020014

Description: No description available

---

1481. Oxanthromicin

Link: https://3d.nih.gov/entries/3DPX-020015

Description: No description available

---

1482. 4-Hydroxyphenylpyruvic acid

Link: https://3d.nih.gov/entries/3DPX-020016

Description: 4-hydroxyphenylpyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is substituted by a 4-hydroxyphenyl group. It has a role as a human metabolite. ...

---

1483. CID 53550

Link: https://3d.nih.gov/entries/3DPX-020033

Description: No description available

---

1484. Elsubrutinib

Link: https://3d.nih.gov/entries/3DPX-020040

Description: No description available

---

1485. Abbv-cls-484

Link: https://3d.nih.gov/entries/3DPX-020041

Description: No description available

---

1486. (Z)-2-cyano-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]-N,N-dimethylprop-2-enamide

Link: https://3d.nih.gov/entries/3DPX-020058

Description: No description available

---

1487. (1.1.1)Propellane

Link: https://3d.nih.gov/entries/3DPX-016313

Description: No description available

---

1488. [3.1.1]Propellane

Link: https://3d.nih.gov/entries/3DPX-016316

Description: No description available

---

1489. Bicyclo[1.1.0]butane

Link: https://3d.nih.gov/entries/3DPX-016317

Description: No description available

---

1490. 2-Phenyltricyclo[1.1.1.01,3]pentane

Link: https://3d.nih.gov/entries/3DPX-016318

Description: No description available

---

1491. 5-Hydroxymethyldeoxycytidine monophosphate

Link: https://3d.nih.gov/entries/3DPX-016319

Description: No description available

---

1492. Cytidine, 2'-deoxy-5-formyl-

Link: https://3d.nih.gov/entries/3DPX-016320

Description: No description available

---

1493. n,n-Diphenylguanidine

Link: https://3d.nih.gov/entries/3DPX-016325

Description: No description available

---

1494. 3,4,4,5-Tetramethyl-2,5-cyclohexadien-1-one

Link: https://3d.nih.gov/entries/3DPX-016326

Description: No description available

---

1495. Pacific ciguatoxin 1

Link: https://3d.nih.gov/entries/3DPX-016329

Description: No description available

---

1496. Heme

Link: https://3d.nih.gov/entries/3DPX-001633

Description: Ball and stick depiction

---

1497. Lamotrigine

Link: https://3d.nih.gov/entries/3DPX-016350

Description: Lamotrigine is a member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6. It has a...

---

1498. azobenzene

Link: https://3d.nih.gov/entries/3DPX-016364

Description: No description available

---

1499. Azobenzene_linear

Link: https://3d.nih.gov/entries/3DPX-016365

Description: No description available

---

1500. N3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine

Link: https://3d.nih.gov/entries/3DPX-016450

Description: N3-cyclopropyl-7-[(4-propan-2-ylphenyl)methyl]pyrrolo[3,2-f]quinazoline-1,3-diamine is a member of quinazolines.

---

1501. Sb2S3 chain

Link: https://3d.nih.gov/entries/3DPX-016451

Description: Single chain of antimony sulfide (Sb2S3)

---

1502. Bi4Br4

Link: https://3d.nih.gov/entries/3DPX-016454

Description: Single Chain Bi4Br4

---

1503. int

Link: https://3d.nih.gov/entries/3DPX-016456

Description: No description available

---

1504. intStick

Link: https://3d.nih.gov/entries/3DPX-016467

Description: No description available

---

1505. [3-methoxy-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]phenyl] thiocyanate

Link: https://3d.nih.gov/entries/3DPX-016473

Description: No description available

---

1506. Vitamin K1

Link: https://3d.nih.gov/entries/3DPX-016475

Description: Phylloquinone is a member of the class of phylloquinones that consists of 1,4-naphthoquinone having methyl and phytyl groups at positions 2 and 3 respectively. The parent of the class of phylloquin...

---

1507. Butanoic acid, DMTBS

Link: https://3d.nih.gov/entries/3DPX-016477

Description: No description available

---

1508. Genistein

Link: https://3d.nih.gov/entries/3DPX-016478

Description: Genistein is a 7-hydroxyisoflavone with additional hydroxy groups at positions 5 and 4'. It is a phytoestrogenic isoflavone with antioxidant properties. It has a role as an antineoplastic agent, a ...

---

1509. 3-[(4S,7R,7aR)-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl]-2-methylprop-2-enoic acid

Link: https://3d.nih.gov/entries/3DPX-016482

Description: No description available

---

1510. Indolylmethyl glucosinolate

Link: https://3d.nih.gov/entries/3DPX-016484

Description: Glucobrassicin is an indolylmethylglucosinolic acid that is 1-thio-beta-D-glucopyranose having a 2-(1H-indol-3-yl)-N-(sulfooxy)ethanimidoyl group attached to the anomeric sulfur. It is an indolylme...

---

1511. Cas9ball

Link: https://3d.nih.gov/entries/3DPX-016493

Description: No description available

---

1512. ligand

Link: https://3d.nih.gov/entries/3DPX-016497

Description: No description available

---

1513. Hexachlorobenzene

Link: https://3d.nih.gov/entries/3DPX-016503

Description: Hexachlorobenzene appears as a white crystalline substance. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make o...

---

1514. Dieldrin

Link: https://3d.nih.gov/entries/3DPX-016507

Description: Dieldrin is a light-tan flaked solid. It is insoluble in water. It is toxic by inhalation, skin absorption and ingestion. It can penetrate intact skin. It is used as an insecticide.

---

1515. Hexadrin

Link: https://3d.nih.gov/entries/3DPX-016508

Description: Endrin is a white crystalline, odorless solid dissolved in a liquid carrier. It is water emulsifiable. It is toxic by inhalation, skin absorption, and/or ingestion. When heated or burned it may emi...

---

1516. Mirex

Link: https://3d.nih.gov/entries/3DPX-016509

Description: Mirex is an organochlorine insecticide and a chlorocarbon. It has a role as a persistent organic pollutant.

---

1517. Oxytocin

Link: https://3d.nih.gov/entries/3DPX-001651

Description: Oxytocin (PDB 1XY2) shown in two models: 1) stick 2) ball and stick

---

1518. Toxaphene

Link: https://3d.nih.gov/entries/3DPX-016510

Description: Toxaphene is a yellow, waxy solid with a pleasant piney odor. Used as an insecticide, primarily for cotton and early growth stages of vegetables. Also peas, soybeans, peanut, corn, and wheat. Not p...

---

1519. 1,2,3,7,8-Pentachlorodibenzofuran

Link: https://3d.nih.gov/entries/3DPX-016511

Description: 1,2,3,7,8-Pentachlorodibenzofuran is a polychlorinated dibenzofuran.

---

1520. Toluene-D8

Link: https://3d.nih.gov/entries/3DPX-016514

Description: Toluene-d8 is a deuterated compound, a methylbenzene, a member of toluenes and a volatile organic compound.

---

1521. Piperlongumine

Link: https://3d.nih.gov/entries/3DPX-016517

Description: Piplartine is a member of cinnamamides and a dicarboximide.

---

1522. Sotorasib

Link: https://3d.nih.gov/entries/3DPX-016519

Description: Sotorasib is a pyridopyrimidine that is pyrido[2,3-d]pyrimidin-2(1H)-one substituted by 4-methyl-2-(propan-2-yl)pyridin-3-yl, (2S)-2-methyl-4-(prop-2-enoyl)piperazin-1-yl, fluoro and 2-fluoro-6-hyd...

---

1523. 6,6-Dimethylfulvene

Link: https://3d.nih.gov/entries/3DPX-016520

Description: No description available

---

1524. (R)-citalopram

Link: https://3d.nih.gov/entries/3DPX-016523

Description: (R)-citalopram is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has R-configuration at the chiral centre. It is the inactive enantiomer of citalopram...

---

1525. beta-Ionone

Link: https://3d.nih.gov/entries/3DPX-016527

Description: Beta-ionone is an ionone that is but-3-en-2-one substituted by a 2,6,6-trimethylcyclohex-1-en-1-yl group at position 4. It has a role as an antioxidant and a fragrance.

---

1526. Test_1

Link: https://3d.nih.gov/entries/3DPX-001653

Description: No description available

---

1527. Zingerone

Link: https://3d.nih.gov/entries/3DPX-016539

Description: Zingerone is a methyl ketone that is 4-phenylbutan-2-one in which the phenyl ring is substituted at positions 3 and 4 by methoxy and hydroxy groups respectively. The major pungent component in ging...

---

1528. Saxitoxin

Link: https://3d.nih.gov/entries/3DPX-016541

Description: Saxitoxin is an alkaloid isolated from the marine dinoflagellates and cyanobacteria that causes paralytic shellfish poisoning. It has a role as a neurotoxin, a toxin, a sodium channel blocker, a ma...

---

1529. Abemaciclib

Link: https://3d.nih.gov/entries/3DPX-016549

Description: Abemaciclib is an antitumor agent and dual inhibitor of cyclin-dependent kinases 4 (CDK4) and 6 (CDK6) that are involved in the cell cycle and promotion of cancer cell growth in case of unregulated...

---

1530. Test run with hexane

Link: https://3d.nih.gov/entries/3DPX-016550

Description: No description available

---

1531. Prednisone; 1,4 pregnadiene-17alpha,21-diol-3,11,20-trione; 1-cortisone; dehydrocortisone

Link: https://3d.nih.gov/entries/3DPX-016555

Description: No description available

---

1532. 2-(4,8-Dimethylnona-3,7-dien-1-yl)-6-methylocta-2,6-diene-1,8-diol

Link: https://3d.nih.gov/entries/3DPX-016556

Description: No description available

---

1533. Mesalamine

Link: https://3d.nih.gov/entries/3DPX-016557

Description: 5-aminosalicylic acid appears as odorless white to pinkish crystals or purplish-tan powder. Aqueous solutions acidic (pH approximately 4.1 at 0.8 mg/L water) . (NTP, 1992)

---

1534. Mercaptopurine

Link: https://3d.nih.gov/entries/3DPX-016558

Description: Purine-6-thiol is a thiol that is the tautomer of mercaptopurine. It has a role as an antineoplastic agent and an antimetabolite. It is a tautomer of a mercaptopurine. It derives from a hydride of ...

---

1535. Balsalazide

Link: https://3d.nih.gov/entries/3DPX-016560

Description: Balsalazide is a monohydroxybenzoic acid consisting of 5-aminosalicylic acid (mesalazine) linked to 4-aminobenzoyl-beta-alanine via an azo bond. It has a role as a prodrug, a non-steroidal anti-inf...

---

1536. Dicyclomine

Link: https://3d.nih.gov/entries/3DPX-016561

Description: Dicyclomine is the ester resulting from the formal condensation of 1-cyclohexylcyclohexanecarboxylic acid with 2-(diethylamino)ethanol. An anticholinergic, it is used as the hydrochloride to treat ...

---

1537. CID 5484207

Link: https://3d.nih.gov/entries/3DPX-001658

Description: No description available

---

1538. Fluorosulfonic acid

Link: https://3d.nih.gov/entries/3DPX-016591

Description: Fluorosulfonic acid is a sulfur oxoacid.

---

1539. Test_2

Link: https://3d.nih.gov/entries/3DPX-001660

Description: No description available

---

1540. Test_3

Link: https://3d.nih.gov/entries/3DPX-001661

Description: No description available

---

1541. 2-Amino-3-prop-2-enylsulfinylpropanoic acid

Link: https://3d.nih.gov/entries/3DPX-016610

Description: (R)C(S)S-Alliin is an alpha-amino acid.

---

1542. Allicin

Link: https://3d.nih.gov/entries/3DPX-016611

Description: Allicin is a sulfoxide and a botanical anti-fungal agent. It has a role as an antibacterial agent.

---

1543. NAG

Link: https://3d.nih.gov/entries/3DPX-016620

Description: No description available

---

1544. Clavulazine

Link: https://3d.nih.gov/entries/3DPX-016632

Description: No description available

---

1545. molecule

Link: https://3d.nih.gov/entries/3DPX-016635

Description: No description available

---

1546. Crown ether

Link: https://3d.nih.gov/entries/3DPX-016636

Description: No description available

---

1547. Perfluorohexanesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-021426

Description: Perfluorohexanesulfonic acid is a perfluoroalkanesulfonic acid that is hexane-1-sulfonic acid in which all thirteen of the hydrogens that are attached to carbons have been replaced by fluorines.

---

1548. Perfluorononanoic acid

Link: https://3d.nih.gov/entries/3DPX-021427

Description: Perfluorononanoic acid is a fluoroalkanoic acid that is nonanoic acid in which all of the hydrogens in the alkyl chain are replaced by fluorines. It has a role as a persistent organic pollutant, a ...

---

1549. Benzo[a]pyrene

Link: https://3d.nih.gov/entries/3DPX-021428

Description: Benzo[a]pyrene is an ortho- and peri-fused polycyclic arene consisting of five fused benzene rings. It has a role as a carcinogenic agent and a mouse metabolite.

---

1550. 5-(4-Oxobut-1-enyl)furan-2-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-021435

Description: No description available

---

1551. MCP-Et

Link: https://3d.nih.gov/entries/3DPX-021437

Description: MCP-Et molecule from Chem. Commun. 2024, DOI: 10.1039/D4CC03632H.

---

1552. MCP-Me

Link: https://3d.nih.gov/entries/3DPX-021438

Description: MCP-Me molecule from Chem. Commun. 2024, DOI: 10.1039/D4CC03632H.

---

1553. FCP-1

Link: https://3d.nih.gov/entries/3DPX-021439

Description: FCP-1 from ChemBioChem 2022, 23 , e202200069.

---

1554. Cyanidin

Link: https://3d.nih.gov/entries/3DPX-021459

Description: Cyanidin cation is an anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. It has a role as a metabolite, a neuroprotective agent and an antioxidant...

---

1555. Strictosamide

Link: https://3d.nih.gov/entries/3DPX-021474

Description: Strictosamide is a member of beta-carbolines.

---

1556. fluorescein at physiological pH

Link: https://3d.nih.gov/entries/3DPX-021475

Description: fluorescein at physiological pH

---

1557. Tetraphosphate

Link: https://3d.nih.gov/entries/3DPX-002148

Description: No description available

---

1558. test-3gtdB

Link: https://3d.nih.gov/entries/3DPX-021488

Description: 2.4 Angstrom crystal structure of fumarate hydratase from Rickettsia prowazekii

---

1559. 6PPD-quinone

Link: https://3d.nih.gov/entries/3DPX-021507

Description: No description available

---

1560. Mycosporine glycine

Link: https://3d.nih.gov/entries/3DPX-021509

Description: No description available

---

1561. 1,4-Dioxane

Link: https://3d.nih.gov/entries/3DPX-021515

Description: 1,4-Dioxane can cause cancer according to an independent committee of scientific and health experts.

---

1562. 4-dodecan-6-ylbenzenesulfonic Acid

Link: https://3d.nih.gov/entries/3DPX-021516

Description: No description available

---

1563. Lauramine oxide

Link: https://3d.nih.gov/entries/3DPX-021517

Description: Dodecyldimethylamine N-oxide is a tertiary amine oxide resulting from the formal oxidation of the amino group of dodecyldimethylamine. It has a role as a plant metabolite and a detergent. It derive...

---

1564. Sulfur Dioxide

Link: https://3d.nih.gov/entries/3DPX-021518

Description: Sulfur Dioxide can cause developmental toxicity according to an independent committee of scientific and health experts.

---

1565. Porphyra 334

Link: https://3d.nih.gov/entries/3DPX-021547

Description: No description available

---

1566. N-(3-((Carboxymethyl)amino)-5-hydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-ylidene)-L-serine

Link: https://3d.nih.gov/entries/3DPX-021548

Description: Shinorine is a mycosporine-like amino acid that is the ketimine resulting from the formal condensation of the amino group of L-serine with the keto group of (5S)-5-hydroxy-5-(hydroxymethyl)-2-metho...

---

1567. Probenecid

Link: https://3d.nih.gov/entries/3DPX-021587

Description: Probenecid is a sulfonamide in which the nitrogen of 4-sulfamoylbenzoic acid is substituted with two propyl groups. It has a role as a uricosuric drug. It is a sulfonamide and a member of benzoic a...

---

1568. 4-Cyclopropyl-7,8-difluoro-5-[4-(trifluoromethoxy)phenyl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline

Link: https://3d.nih.gov/entries/3DPX-021588

Description: No description available

---

1569. 2-(N,N-Dimethylamino)ethyl methacrylate

Link: https://3d.nih.gov/entries/3DPX-021589

Description: No description available

---

1570. Diethylaminoethyl Methacrylate

Link: https://3d.nih.gov/entries/3DPX-021590

Description: No description available

---

1571. OX063

Link: https://3d.nih.gov/entries/3DPX-021592

Description: Trityl radical

---

1572. Metformin

Link: https://3d.nih.gov/entries/3DPX-021599

Description: Metformin is a member of the class of guanidines that is biguanide the carrying two methyl substituents at position 1. It has a role as a hypoglycemic agent, a xenobiotic, an environmental contamin...

---

1573. Rivastigmine

Link: https://3d.nih.gov/entries/3DPX-021604

Description: Rivastigmine is a carbamate ester obtained by formal condensation of the carboxy group of ethyl(methyl)carbamic acid with the phenolic OH group of 3-[(1S)-1-(dimethylamino)ethyl]phenol. A reversibl...

---

1574. PSMA_Ruc

Link: https://3d.nih.gov/entries/3DPX-021607

Description: PET or SPECT tracer, dependent on chelated metal. Tumor selective drug delivery.

---

1575. nahtalene

Link: https://3d.nih.gov/entries/3DPX-021637

Description: naphtalene

---

1576. 2-O-alpha-L-fucopyranosyl-beta-D-galactopyranose

Link: https://3d.nih.gov/entries/3DPX-021642

Description: Alpha-L-Fucp-(1->2)-beta-D-Galp is a glycosylgalactose consisting of beta-D-galactose having an alpha-L-fucosyl residue attached at the 2-position. It has a role as an epitope.

---

1577. 2H,2H,3H,3H-Perfluorooctanoic acid

Link: https://3d.nih.gov/entries/3DPX-021646

Description: 53FTA is a medium-chain fatty acid.

---

1578. Perfluoropentanoate

Link: https://3d.nih.gov/entries/3DPX-021647

Description: No description available

---

1579. Representation of Amino Acids for Didactic Material Creation

Link: https://3d.nih.gov/entries/3DPX-021660

Description: Authored by Gabriela Coelho Brêda, Caio Massoto Pacheco, Gustavo Machado and Lucas Asafe from Universidade Federal do Rio de Janeiro, 2025.From the book to the students' hands. The 3D printing of m...

---

1580. Isopregnanolone

Link: https://3d.nih.gov/entries/3DPX-021680

Description: 3beta-hydroxy-5alpha-pregnan-20-one is a 3-hydroxy-5alpha-pregnan-20-one.

---

1581. C2h

Link: https://3d.nih.gov/entries/3DPX-016646

Description: No description available

---

1582. ammonia

Link: https://3d.nih.gov/entries/3DPX-016647

Description: No description available

---

1583. (2R)-2-(Acetyloxy)-N,N,N-trimethyl-1-propanaminium

Link: https://3d.nih.gov/entries/3DPX-016652

Description: No description available

---

1584. 7-Oxocyclohepta-1,3,5-trien-1-yl 4-nitrobenzoate

Link: https://3d.nih.gov/entries/3DPX-001666

Description: No description available

---

1585. Co(ethylenediamine)3

Link: https://3d.nih.gov/entries/3DPX-016668

Description: No description available

---

1586. Water

Link: https://3d.nih.gov/entries/3DPX-016670

Description: No description available

---

1587. c2h

Link: https://3d.nih.gov/entries/3DPX-016671

Description: No description available

---

1588. benzol

Link: https://3d.nih.gov/entries/3DPX-016672

Description: No description available

---

1589. c3 gruppe

Link: https://3d.nih.gov/entries/3DPX-016673

Description: No description available

---

1590. Oh Gruppe

Link: https://3d.nih.gov/entries/3DPX-016674

Description: No description available

---

1591. Adamantan

Link: https://3d.nih.gov/entries/3DPX-016679

Description: No description available

---

1592. 12-crown-4

Link: https://3d.nih.gov/entries/3DPX-016680

Description: No description available

---

1593. Twistane ay

Link: https://3d.nih.gov/entries/3DPX-016681

Description: No description available

---

1594. meso weinsäure

Link: https://3d.nih.gov/entries/3DPX-016682

Description: No description available

---

1595. fulleren

Link: https://3d.nih.gov/entries/3DPX-016683

Description: No description available

---

1596. Cyclohexane

Link: https://3d.nih.gov/entries/3DPX-016687

Description: No description available

---

1597. Ammoniak

Link: https://3d.nih.gov/entries/3DPX-016688

Description: No description available

---

1598. Trifluoromethanesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-016699

Description: Triflic acid is a one-carbon compound that is methanesulfonic acid in which the hydrogens attached to the methyl carbon have been replaced by fluorines. It is a one-carbon compound and a perfluoroa...

---

1599. Diethylmethylamine

Link: https://3d.nih.gov/entries/3DPX-016700

Description: No description available

---

1600. 1,1,1-Trifluoro-N-((trifluoromethyl)sulfonyl)methanesulfonamide

Link: https://3d.nih.gov/entries/3DPX-016701

Description: No description available

---

1601. ethyl 6-chloro-3-(3-chlorobenzoyl)-1H-indole-2-carboxylate

Link: https://3d.nih.gov/entries/3DPX-016705

Description: No description available

---

1602. 3,6-Dimethyl-1,4-dioxane-2,5-dione

Link: https://3d.nih.gov/entries/3DPX-016707

Description: Lactide is a member of dioxanes.

---

1603. N-(Hydroxymethyl)acetamide

Link: https://3d.nih.gov/entries/3DPX-016708

Description: No description available

---

1604. Esomeprazole

Link: https://3d.nih.gov/entries/3DPX-016711

Description: Esomeprazole is a 5-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfinyl}-1H-benzimidazole that has S configuration at the sulfur atom. An inhibitor of gastric acid secretion, it is used...

---

1605. Pilocarpine

Link: https://3d.nih.gov/entries/3DPX-016724

Description: (+)-pilocarpine is the (+)-enantiomer of pilocarpine. It has a role as an antiglaucoma drug. It is an enantiomer of a (-)-pilocarpine.

---

1606. Pyrrolysine

Link: https://3d.nih.gov/entries/3DPX-016726

Description: L-pyrrolysine is a N(6)-acyl-L-lysine having (2R,3R)-3-methyl-3,4-dihydro-2H-pyrrol-2-ylcarbonyl as the N(6)-acyl group. It is a proteinogenic amino acid, a N(6)-acyl-L-lysine and a pyrrolysine. It...

---

1607. Tricyclo[2.2.2.0(1,4)]octane

Link: https://3d.nih.gov/entries/3DPX-016727

Description: No description available

---

1608. (5Z)-3-benzyl-5-(3-hydroxy-4-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Link: https://3d.nih.gov/entries/3DPX-016728

Description: No description available

---

1609. [3.3.3]Propellane

Link: https://3d.nih.gov/entries/3DPX-016729

Description: No description available

---

1610. Ioglicic acid

Link: https://3d.nih.gov/entries/3DPX-001673

Description: Ioglicic acid is an amidobenzoic acid.

---

1611. Decahydro-4a,8a-butanonaphthalene

Link: https://3d.nih.gov/entries/3DPX-016730

Description: No description available

---

1612. Ajmaline

Link: https://3d.nih.gov/entries/3DPX-016731

Description: An alkaloid found in the root of RAUWOLFIA SERPENTINA, among other plant sources. It is a class 1-A antiarrhythmic agent that apparently acts by changing the shape and threshold of cardiac action p...

---

1613. 3,4,9,10-Perylenetetracarboxylic dianhydride

Link: https://3d.nih.gov/entries/3DPX-016732

Description: No description available

---

1614. 4-Azatricyclo[4.3.1.13,8]undecane

Link: https://3d.nih.gov/entries/3DPX-016733

Description: No description available

---

1615. Tricyclo(4.1.0.02,7)heptane

Link: https://3d.nih.gov/entries/3DPX-016734

Description: No description available

---

1616. Fluxid

Link: https://3d.nih.gov/entries/3DPX-016738

Description: Famotidine is a Histamine-2 Receptor Antagonist. The mechanism of action of famotidine is as a Histamine H2 Receptor Antagonist.

---

1617. adamantane vibrational mode

Link: https://3d.nih.gov/entries/3DPX-016745

Description: No description available

---

1618. Tricyclobutabenzene

Link: https://3d.nih.gov/entries/3DPX-016746

Description: No description available

---

1619. Bicyclobutane-2,4-dione

Link: https://3d.nih.gov/entries/3DPX-016747

Description: No description available

---

1620. Bicyclo[2.1.0]pentane

Link: https://3d.nih.gov/entries/3DPX-016748

Description: Housane is an ortho-fused bicyclic hydrocarbon.

---

1621. Prismane

Link: https://3d.nih.gov/entries/3DPX-016749

Description: No description available

---

1622. Tetracyclo(3.3.2.02,4.06,8)dec-9-ene, (1alpha,4alpha,6alpha,8alpha)-

Link: https://3d.nih.gov/entries/3DPX-016750

Description: No description available

---

1623. Tetracyclo[14.2.2.24,7.210,13]tetracosa-1,3,5,7,9,11,13,15,17,19,21,23-dodecaene

Link: https://3d.nih.gov/entries/3DPX-016751

Description: No description available

---

1624. Tetrahedrane

Link: https://3d.nih.gov/entries/3DPX-016752

Description: Tetrahedrane is a polyhedrane.

---

1625. Dodecahedrane

Link: https://3d.nih.gov/entries/3DPX-016753

Description: Dodecahedrane is a polyhedrane.

---

1626. 3,6,10,13-Tetrathia(4,5,11,12-trans-dicyclohexano)-[6.6.1]propellane

Link: https://3d.nih.gov/entries/3DPX-016754

Description: No description available

---

1627. [5]Cycloparaphenylene

Link: https://3d.nih.gov/entries/3DPX-016755

Description: [5]Cycloparaphenylene is a benzenoid aromatic compound.

---

1628. [8]Cycloparaphenylene

Link: https://3d.nih.gov/entries/3DPX-016756

Description: No description available

---

1629. 2,2'-Spirobi[tricyclo[3.3.1.13,7]decane]

Link: https://3d.nih.gov/entries/3DPX-016757

Description: No description available

---

1630. all-cis-[5.5.5.5]Fenestrane

Link: https://3d.nih.gov/entries/3DPX-016758

Description: No description available

---

1631. 10b,10c-Diazadicyclopenta(ef,kl)heptalene, 3,4,5,8,9,10-hexahydro-

Link: https://3d.nih.gov/entries/3DPX-016759

Description: No description available

---

1632. Tricyclo(5.5.0.02,8)dodecane

Link: https://3d.nih.gov/entries/3DPX-016760

Description: No description available

---

1633. 2-Methylnonacyclo[9.7.1.13,7.13,17.15,9.01,14.02,9.04,15.013,21]docosane

Link: https://3d.nih.gov/entries/3DPX-016761

Description: No description available

---

1634. Iceane

Link: https://3d.nih.gov/entries/3DPX-016762

Description: No description available

---

1635. Tricyclo[3.3.2.02,8]decane

Link: https://3d.nih.gov/entries/3DPX-016763

Description: No description available

---

1636. Bullvalene

Link: https://3d.nih.gov/entries/3DPX-016764

Description: No description available

---

1637. Cyclohept(fg)acenaphthylene, 1,2-dihydro-

Link: https://3d.nih.gov/entries/3DPX-016765

Description: No description available

---

1638. 4,5-Benzotricyclo(4.1.0.01,3)hept-4-ene

Link: https://3d.nih.gov/entries/3DPX-016766

Description: No description available

---

1639. CPM (7-Diethylamino-3-(4-maleimidophenyl)-4-methylcoumarin)

Link: https://3d.nih.gov/entries/3DPX-016768

Description: A thiol-specific fluorochrome that can be used to measure protein unfolding

---

1640. Fipronil

Link: https://3d.nih.gov/entries/3DPX-016769

Description: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-[(trifluoromethyl)sulfinyl]-1H-pyrazole-3-carbonitrile is a member of the class of pyrazoles that is 1H-pyrazole that is substituted at position...

---

1641. Chloroprene

Link: https://3d.nih.gov/entries/3DPX-016770

Description: Chloroprene is a chloroolefin. It derives from a hydride of a buta-1,3-diene.

---

1642. Clorgiline

Link: https://3d.nih.gov/entries/3DPX-016774

Description: Clorgyline is an aromatic ether that is the 2,4-dichlorophenyl ether of 3-aminopropan-1-ol in which the nitrogen is substituted by a methyl group and a prop-1-yn-3-yl group. A monoamine oxidase inh...

---

1643. Fmoc-Pro-Wang resin

Link: https://3d.nih.gov/entries/3DPX-016776

Description: No description available

---

1644. Sulfonium,dimethyl-2,3-dihydro-1,3-dioxo-1H-inden-2-ylide

Link: https://3d.nih.gov/entries/3DPX-016788

Description: No description available

---

1645. ledipasvir

Link: https://3d.nih.gov/entries/3DPX-016793

Description: No description available

---

1646. elbasvir

Link: https://3d.nih.gov/entries/3DPX-016794

Description: No description available

---

1647. thia

Link: https://3d.nih.gov/entries/3DPX-001680

Description: No description available

---

1648. Kanamycin

Link: https://3d.nih.gov/entries/3DPX-011985

Description: Kanamycin A is a member of kanamycins. It has a role as a bacterial metabolite. It is a conjugate base of a kanamycin A(4+).

---

1649. Neomycin

Link: https://3d.nih.gov/entries/3DPX-011986

Description: No description available

---

1650. Netilmicin

Link: https://3d.nih.gov/entries/3DPX-011987

Description: Netilmicin is a semisynthetic 1-N-ethyl derivative of sisomycin, an aminoglycoside antibiotic with action similar to gentamicin, but less ear and kidney toxicity. Netilmicin inhibits protein synthe...

---

1651. Tobramycin

Link: https://3d.nih.gov/entries/3DPX-011988

Description: Tobramycin is a amino cyclitol glycoside that is kanamycin B lacking the 3-hydroxy substituent from the 2,6-diaminoglucose ring. It has a role as an antibacterial agent, an antimicrobial agent and ...

---

1652. Streptomycin

Link: https://3d.nih.gov/entries/3DPX-011990

Description: No description available

---

1653. Geldanamycin

Link: https://3d.nih.gov/entries/3DPX-011991

Description: Geldanamycin is an ansamycin consisting of a 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It shows antimicrobial activity against many Gram-positive and some ...

---

1654. Herbimycin a

Link: https://3d.nih.gov/entries/3DPX-011992

Description: Herbimycin is a 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It is an ansamycin antibiotic that induces apoptosis and displays antitumour effects. It has a ro...

---

1655. Rifaximin

Link: https://3d.nih.gov/entries/3DPX-011993

Description: No description available

---

1656. Loracarbef

Link: https://3d.nih.gov/entries/3DPX-011994

Description: Loracarbef is a synthetic "carba" analogue of cefaclor, with carbon replacing sulfur at position 1. Used to treat a wide range of infections caused by both gram-positive and gram-negative bacteria....

---

1657. Ertapenem

Link: https://3d.nih.gov/entries/3DPX-011995

Description: Ertapenem is meropenem in which the one of the two methyl groups attached to the amide nitrogen is replaced by hydrogen while the other is replaced by a 3-carboxyphenyl group. The sodium salt is us...

---

1658. Doripenem

Link: https://3d.nih.gov/entries/3DPX-011996

Description: Doripenem is a member of carbapenems.

---

1659. Imipenem

Link: https://3d.nih.gov/entries/3DPX-011997

Description: Imipenem is a broad-spectrum, intravenous beta-lactam antibiotic of the carbapenem subgroup. It has a role as an antibacterial drug. It is a beta-lactam antibiotic allergen and a member of carbapen...

---

1660. Meropenem

Link: https://3d.nih.gov/entries/3DPX-011998

Description: Meropenem is a carbapenemcarboxylic acid in which the azetidine and pyrroline rings carry 1-hydroxymethyl and in which the azetidine and pyrroline rings carry 1-hydroxymethyl and 5-(dimethylcarbamo...

---

1661. Cefadroxil

Link: https://3d.nih.gov/entries/3DPX-011999

Description: Cefadroxil is a cephalosporin bearing methyl and (2R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a role as an antibacterial drug....

---

1662. Acetone

Link: https://3d.nih.gov/entries/3DPX-001200

Description: Acetone is a methyl ketone that consists of propane bearing an oxo group at C2. It has a role as a polar aprotic solvent, a human metabolite and an EC 3.5.1.4 (amidase) inhibitor. It is a methyl ke...

---

1663. Cefazolin

Link: https://3d.nih.gov/entries/3DPX-012000

Description: Cefazolin is a first-generation cephalosporin compound having [(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl and (1H-tetrazol-1-ylacetyl)amino side-groups at positions 3 and 7 respectively. It ha...

---

1664. Cephradine

Link: https://3d.nih.gov/entries/3DPX-012001

Description: Cephradine is a first-generation cephalosporin antibiotic with a methyl substituent at position 3, and a (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamido substituent at position 7, of the cephem ske...

---

1665. Cephapirin

Link: https://3d.nih.gov/entries/3DPX-012002

Description: Cephapirin is a cephalosporin with acetoxymethyl and 2(pyridin-4-ylsulfanyl)acetamido substituents at positions 3 and 7, respectively, of the cephem skeleton. It is used (as its sodium salt) as an ...

---

1666. Cephalothin

Link: https://3d.nih.gov/entries/3DPX-012003

Description: Cefalotin is a semisynthetic, first-generation cephalosporin antibiotic with acetoxymethyl and (2-thienylacetyl)nitrilo moieties at positions 3 and 7, respectively, of the core structure. Administe...

---

1667. Cephalexin

Link: https://3d.nih.gov/entries/3DPX-012004

Description: Cephalexin is a semisynthetic first-generation cephalosporin antibiotic having methyl and beta-(2R)-2-amino-2-phenylacetamido groups at the 3- and 7- of the cephem skeleton, respectively. It is eff...

---

1668. Cefaclor

Link: https://3d.nih.gov/entries/3DPX-012005

Description: Cefaclor is a cephalosporin bearing chloro and (R)-2-amino-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has a role as an antibacterial drug and a drug all...

---

1669. Cefoxitin

Link: https://3d.nih.gov/entries/3DPX-012006

Description: Cefoxitin is a semisynthetic cephamycin antibiotic which, in addition to the methoxy group at the 7alpha position, has 2-thienylacetamido and carbamoyloxymethyl side-groups. It is resistant to beta...

---

1670. Cefotetan

Link: https://3d.nih.gov/entries/3DPX-012007

Description: Cefotetan is a semi-synthetic second-generation cephamycin antibiotic with [(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl, methoxy and {[4-(2-amino-1-carboxy-2-oxoethylidene)-1,3-dithietan-2-yl]carbon...

---

1671. Cefamandole

Link: https://3d.nih.gov/entries/3DPX-012008

Description: Cefamandole is a cephalosporin compound having (R)-mandelamido and N-methylthiotetrazole side-groups. It has a role as an antibacterial drug. It is a cephalosporin and a semisynthetic derivative. I...

---

1672. Cefmetazole

Link: https://3d.nih.gov/entries/3DPX-012009

Description: Cefmetazole is a second-generation cephalosporin antibiotic having N(1)-methyltetrazol-5-ylthiomethyl, {[(cyanomethyl)sulfanyl]acetyl}amino and methoxy side-groups at positions 3, 7beta and 7alpha ...

---

1673. Cefonicid

Link: https://3d.nih.gov/entries/3DPX-012010

Description: Cefonicid is a cephalosporin bearing {[1-(sulfomethyl)-1H-tetrazol-5-yl]sulfanyl}methyl and (R)-2-hydroxy-2-phenylacetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It has...

---

1674. Cefprozil

Link: https://3d.nih.gov/entries/3DPX-012011

Description: Cefprozil is a semisynthetic, second-generation cephalosporin, with prop-1-enyl and (R)-2-amino-2-(4-hydroxyphenyl)acetamido groups at positions 3 and 7, respectively, of the cephem skeleton. It is...

---

1675. Cefuroxime

Link: https://3d.nih.gov/entries/3DPX-012012

Description: Cefuroxime is a 3-(carbamoyloxymethyl)cephalosporin compound having a 7-(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetamido side chain. It has a role as a drug allergen. It is a 3-(carbamoyloxymethyl)cep...

---

1676. Cefixime

Link: https://3d.nih.gov/entries/3DPX-012013

Description: Cefixime is a third-generation cephalosporin antibiotic bearing vinyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-[(carboxymethoxy)imino]acetamido groups at positions 3 and 7, respectively, of the ceph...

---

1677. Cefdinir

Link: https://3d.nih.gov/entries/3DPX-012014

Description: Cefdinir is a cephalosporin compound having 7beta-2-(2-amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino- and 3-vinyl side groups. It has a role as an antibacterial drug. It is a cephalosporin a...

---

1678. Cefditoren

Link: https://3d.nih.gov/entries/3DPX-012015

Description: Cefditoren is a broad spectrum, third-generation cephalosporin antibiotic with (Z)-2-(4-methyl-1,3-thiazol-5-yl)ethenyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at pos...

---

1679. Cefoperazone

Link: https://3d.nih.gov/entries/3DPX-012016

Description: Cefoperazone is a semi-synthetic parenteral cephalosporin with a tetrazolyl moiety that confers beta-lactamase resistance. It has a role as an antibacterial drug.

---

1680. Cefotaxime

Link: https://3d.nih.gov/entries/3DPX-012017

Description: No description available

---

1681. Cefpodoxime

Link: https://3d.nih.gov/entries/3DPX-012018

Description: Cefpodoxime is a third-generation cephalosporin antibiotic with methoxymethyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamino substituents at positions 3 and 7, respectively, of the...

---

1682. Ceftazidime

Link: https://3d.nih.gov/entries/3DPX-012019

Description: Ceftazidime is a third-generation cephalosporin antibiotic bearing pyridinium-1-ylmethyl and {[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetamido groups at positions 3 ...

---

1683. Ceftibuten

Link: https://3d.nih.gov/entries/3DPX-012020

Description: Ceftibuten is a third-generation cephalosporin antibiotic with a [(2Z)-2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino substituent at the 7 position of the cephem skeleton. An orally-admini...

---

1684. Ceftizoxime

Link: https://3d.nih.gov/entries/3DPX-012021

Description: Ceftizoxime is a parenteral third-generation cephalosporin, bearing a 2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino group at the 7beta-position. It has a role as an antibacterial drug. ...

---

1685. Latamoxef

Link: https://3d.nih.gov/entries/3DPX-012022

Description: Moxalactam is a broad-spectrum oxacephem antibiotic in which the oxazine ring is substituted with a tetrazolylthiomethyl group and the azetidinone ring carries methoxy and 2-carboxy-2-(4-hydroxyphe...

---

1686. Ceftriaxone

Link: https://3d.nih.gov/entries/3DPX-012023

Description: No description available

---

1687. Cefepime

Link: https://3d.nih.gov/entries/3DPX-012024

Description: Cefepime is a cephalosporin bearing (1-methylpyrrolidinium-1-yl)methyl and (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetamido groups at positions 3 and 7, respectively, of the cephem skele...

---

1688. Ceftaroline fosamil

Link: https://3d.nih.gov/entries/3DPX-012025

Description: Ceftaroline fosamil is a cephalosporin having [4-(1-methylpyridinium-4-yl)-1,3-thiazol-2-yl]sulfanyl and {(2Z)-2-(ethoxyimino)-2-[5-(phosphonoamino)-1,2,4-thiadiazol-3-yl]acetyl}amino side groups l...

---

1689. Ceftobiprole

Link: https://3d.nih.gov/entries/3DPX-012026

Description: Ceftobiprole is a fifth-generation cephalosporin antibiotic having (E)-[(3'R)-2-oxo[1,3'-bipyrrolidin]-3-ylidene]methyl and [(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino side...

---

1690. Telavancin

Link: https://3d.nih.gov/entries/3DPX-012028

Description: No description available

---

1691. Clindamycin

Link: https://3d.nih.gov/entries/3DPX-012029

Description: Clindamycin is a semisynthetic lincosamide antibiotic that has largely replaced lincomycin due to an improved side effect profile. Clindamycin inhibits bacterial protein synthesis by binding to bac...

---

1692. Lincomycin

Link: https://3d.nih.gov/entries/3DPX-012030

Description: Lincomycin is a carbohydrate-containing antibiotic produced by the actinomyces Streptomyces lincolnensis. It has a role as an antimicrobial agent and a bacterial metabolite. It is a carbohydrate-co...

---

1693. Daptomycin

Link: https://3d.nih.gov/entries/3DPX-012031

Description: No description available

---

1694. Azithromycin

Link: https://3d.nih.gov/entries/3DPX-012032

Description: No description available

---

1695. Clarithromycin

Link: https://3d.nih.gov/entries/3DPX-012033

Description: No description available

---

1696. Erythromycin

Link: https://3d.nih.gov/entries/3DPX-012034

Description: No description available

---

1697. Azactam

Link: https://3d.nih.gov/entries/3DPX-012035

Description: Aztreonam is a Monobactam Antibacterial. The chemical classification of aztreonam is Monobactams.

---

1698. Furoxone

Link: https://3d.nih.gov/entries/3DPX-012036

Description: Furazolidone is a member of the class of oxazolidines that is 1,3-oxazolidin-2-one in which the hydrogen attached to the nitrogen is replaced by an N-{[(5-nitro-2-furyl)methylene]amino} group. It h...

---

1699. Nitrofurantoin

Link: https://3d.nih.gov/entries/3DPX-012037

Description: Nitrofurantoin is an imidazolidine-2,4-dione that is hydantoin substituted at position 1 by a [(5-nitro-2-furyl)methylene]amino group. An antibiotic that damages bacterial DNA. It has a role as a h...

---

1700. Tedizolid

Link: https://3d.nih.gov/entries/3DPX-012038

Description: Tedizolid is a member of the class of pyridines that is pyridine which is substituted by a 2-methyl-2H-tetrazol-5-yl group at position 2 and by a 2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazol...

---

1701. Amoxicillin

Link: https://3d.nih.gov/entries/3DPX-012039

Description: No description available

---

1702. Azlocillin

Link: https://3d.nih.gov/entries/3DPX-012040

Description: Azlocillin is a semisynthetic penicillin having a 6beta-{(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl}amino side-group. It is an antibiotic used in treating infections caused by Pse...

---

1703. Dicloxacillin

Link: https://3d.nih.gov/entries/3DPX-012041

Description: Dicloxacillin is a penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]formyl group. It has a role as an...

---

1704. Mezlocillin

Link: https://3d.nih.gov/entries/3DPX-012042

Description: Mezlocillin is a penicillin in which the substituent at position 6 of the penam ring is a (2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido group. It has a role as an ...

---

1705. Methicillin

Link: https://3d.nih.gov/entries/3DPX-012043

Description: Methicillin is a penicillin that is 6-aminopenicillanic acid in which one of the amino hydrogens is replaced by a 2,6-dimethoxybenzoyl group. It has a role as an antibacterial drug. It is a penicil...

---

1706. Nafcillin

Link: https://3d.nih.gov/entries/3DPX-012044

Description: Nafcillin is a penicillin in which the substituent at position 6 of the penam ring is a (2-ethoxy-1-naphthoyl)amino group. It has a role as an antibacterial drug. It is a penicillin and a penicilli...

---

1707. Oxacillin

Link: https://3d.nih.gov/entries/3DPX-012045

Description: Oxacillin is a penicillin antibiotic carrying a 5-methyl-3-phenylisoxazole-4-carboxamide group at position 6beta. It has a role as an antibacterial agent and an antibacterial drug. It is a conjugat...

---

1708. Piperacillin

Link: https://3d.nih.gov/entries/3DPX-012046

Description: Piperacillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-[(4-ethyl-2,3-dioxopiperazin-1-yl)carboxamido]-2-phenylacetamido group. It has a role as an antibacteria...

---

1709. Temocillin

Link: https://3d.nih.gov/entries/3DPX-012047

Description: Temocillin is a penicillin compound having a 6alpha-methoxy and 6beta-[2-carboxy(thiophen-3-yl)acetamido side-groups. It is a conjugate acid of a temocillin(2-).

---

1710. Bacitracin

Link: https://3d.nih.gov/entries/3DPX-012048

Description: No description available

---

1711. Colistin

Link: https://3d.nih.gov/entries/3DPX-012049

Description: No description available

---

1712. Polymyxin B

Link: https://3d.nih.gov/entries/3DPX-012050

Description: No description available

---

1713. Enoxacin

Link: https://3d.nih.gov/entries/3DPX-012051

Description: Enoxacin is a 1,8-naphthyridine derivative that is 1,4-dihydro-1,8-naphthyridine with an ethyl group at the 1 position, a carboxy group at the 3-position, an oxo sustituent at the 4-position, a flu...

---

1714. Gatifloxacin

Link: https://3d.nih.gov/entries/3DPX-012052

Description: Gatifloxacin is a monocarboxylic acid that is 4-oxo-1,4-dihydroquinoline-3-carboxylic acid which is substituted on the nitrogen by a cyclopropyl group and at positions 6, 7, and 8 by fluoro, 3-meth...

---

1715. Gemifloxacin

Link: https://3d.nih.gov/entries/3DPX-012053

Description: Gemifloxacin is a 1,4-dihydro-1,8-naphthyridine with a carboxy group at the 3-position, an oxo sustituent at the 4-position, a fluoro substituent at the 5-position and a substituted pyrrolin-1-yl g...

---

1716. Levofloxacin

Link: https://3d.nih.gov/entries/3DPX-012054

Description: Levofloxacin is an optically active form of ofloxacin having (S)-configuration; an inhibitor of bacterial topoisomerase IV and DNA gyrase. It has a role as a DNA synthesis inhibitor, an antibacteri...

---

1717. Lomefloxacin

Link: https://3d.nih.gov/entries/3DPX-012055

Description: Lomefloxacin is a fluoroquinolone antibiotic, used (generally as the hydrochloride salt) to treat bacterial infections including bronchitis and urinary tract infections. It is also used to prevent ...

---

1718. Moxifloxacin

Link: https://3d.nih.gov/entries/3DPX-012056

Description: Moxifloxacin is a quinolone that consists of 4-oxo-1,4-dihydroquinoline-3-carboxylic acid bearing a cyclopropyl substituent at position 1, a fluoro substitiuent at position 6, a (4aS,7aS)-octahydro...

---

1719. Nadifloxacin

Link: https://3d.nih.gov/entries/3DPX-012057

Description: Nadifloxacin is a pyridoquinoline, a hydroxypiperidine, a heteroarylpiperidine and a quinolone antibiotic. It has a role as an antibacterial drug.

---

1720. Nalidixic acid

Link: https://3d.nih.gov/entries/3DPX-012058

Description: Nalidixic acid is a monocarboxylic acid comprising 1,8-naphthyridin-4-one substituted by carboxylic acid, ethyl and methyl groups at positions 3, 1, and 7, respectively. An orally administered anti...

---

1721. Norfloxacin

Link: https://3d.nih.gov/entries/3DPX-012059

Description: Norfloxacin is a quinolinemonocarboxylic acid with broad-spectrum antibacterial activity against most gram-negative and gram-positive bacteria. Norfloxacin is bactericidal and its mode of action de...

---

1722. Ofloxacin

Link: https://3d.nih.gov/entries/3DPX-012060

Description: Ofloxacin is a racemate comprising equimolar amounts of levofloxacin and dextrofloxacin. It is a synthetic fluoroquinolone antibacterial agent which inhibits the supercoiling activity of bacterial ...

---

1723. Mafenide

Link: https://3d.nih.gov/entries/3DPX-012061

Description: Mafenide is an aromatic amine.

---

1724. Sulfacetamide

Link: https://3d.nih.gov/entries/3DPX-012062

Description: Sulfacetamide is a white powder. (NTP, 1992)

---

1725. Sulfadimethoxine

Link: https://3d.nih.gov/entries/3DPX-012063

Description: Sulfadimethoxine is a sulfonamide consisting of pyrimidine having methoxy substituents at the 2- and 6-positions and a 4-aminobenzenesulfonamido group at the 4-position. It has a role as an antiinf...

---

1726. Sulfamethizole

Link: https://3d.nih.gov/entries/3DPX-012064

Description: Sulfamethizole is a sulfonamide consisting of a 1,3,4-thiadiazole nucleus with a methyl substituent at C-5 and a 4-aminobenzenesulfonamido group at C-2. It has a role as an antimicrobial agent, an ...

---

1727. Sulfamethoxazole

Link: https://3d.nih.gov/entries/3DPX-012065

Description: Sulfamethoxazole is an isoxazole (1,2-oxazole) compound having a methyl substituent at the 5-position and a 4-aminobenzenesulfonamido group at the 3-position. It has a role as an antibacterial agen...

---

1728. Sulfisoxazole

Link: https://3d.nih.gov/entries/3DPX-012066

Description: Sulfisoxazole is a sulfonamide antibacterial with an oxazole substituent. It has antibiotic activity against a wide range of gram-negative and gram-positive organisms. It has a role as an antibacte...

---

1729. Sulfasalazine

Link: https://3d.nih.gov/entries/3DPX-012067

Description: Sulfasalazine is an azobenzene consisting of diphenyldiazene having a carboxy substituent at the 4-position, a hydroxy substituent at the 3-position and a 2-pyridylaminosulphonyl substituent at the...

---

1730. Demeclocycline

Link: https://3d.nih.gov/entries/3DPX-012068

Description: Demeclocycline is tetracycline which lacks the methyl substituent at position 7 and in which the hydrogen para- to the phenolic hydroxy group is substituted by chlorine. Like tetracycline, it is an...

---

1731. Doxycycline

Link: https://3d.nih.gov/entries/3DPX-012069

Description: Doxycycline is tetracycline in which the 5beta-hydrogen is replaced by a hydroxy group, while the 6alpha-hydroxy group is replaced by hydrogen. A semi-synthetic tetracycline antibiotic, it is used ...

---

1732. Methacycline

Link: https://3d.nih.gov/entries/3DPX-012070

Description: Methacycline is a tetracycline that is the 6-methylene analogue of oxytetracycline, obtained by formal dehydration at position 6. It has a role as an antibacterial drug. It is a member of tetracycl...

---

1733. Oxytetracycline

Link: https://3d.nih.gov/entries/3DPX-012072

Description: Oxytetracycline is a tetracycline used for treatment of infections caused by a variety of Gram positive and Gram negative microorganisms including Mycoplasma pneumoniae, Pasteurella pestis, Escheri...

---

1734. Clofazimine

Link: https://3d.nih.gov/entries/3DPX-012073

Description: No description available

---

1735. Dapsone

Link: https://3d.nih.gov/entries/3DPX-012074

Description: No description available

---

1736. 2-6-Capreomycin IA

Link: https://3d.nih.gov/entries/3DPX-012075

Description: No description available

---

1737. Cycloserine

Link: https://3d.nih.gov/entries/3DPX-012076

Description: D-cycloserine is a 4-amino-1,2-oxazolidin-3-one that has R configuration. It is an antibiotic produced by Streptomyces garyphalus or S. orchidaceus and is used as part of a multi-drug regimen for t...

---

1738. Ethambutol

Link: https://3d.nih.gov/entries/3DPX-012077

Description: Ethambutol is an ethylenediamine derivative that is ethane-1,2-diamine in which one hydrogen attached to each of the nitrogens is sutstituted by a 1-hydroxybutan-2-yl group (S,S-configuration). It ...

---

1739. Ethionamide

Link: https://3d.nih.gov/entries/3DPX-012078

Description: Ethionamide is a thiocarboxamide that is pyridine-4-carbothioamide substituted by an ethyl group at position 2. A prodrug that undergoes metabolic activation by conversion to the corresponding S-ox...

---

1740. Isoniazid

Link: https://3d.nih.gov/entries/3DPX-012079

Description: Isoniazide is a carbohydrazide obtained by formal condensation between pyridine-4-carboxylic acid and hydrazine. It has a role as an antitubercular agent and a drug allergen. It is functionally rel...

---

1741. Rifampicin

Link: https://3d.nih.gov/entries/3DPX-012080

Description: No description available

---

1742. Metronidazole

Link: https://3d.nih.gov/entries/3DPX-012081

Description: Metronidazole is a member of the class of imidazoles substituted at C-1, -2 and -5 with 2-hydroxyethyl, nitro and methyl groups respectively. It has activity against anaerobic bacteria and protozoa...

---

1743. Thiamphenicol

Link: https://3d.nih.gov/entries/3DPX-012082

Description: Thiamphenicol is a sulfone and a monocarboxylic acid amide. It has a role as an immunosuppressive agent and an antimicrobial agent.

---

1744. Hackel Peptide cluster 7

Link: https://3d.nih.gov/entries/3DPX-012084

Description: No description available

---

1745. David Kang

Link: https://3d.nih.gov/entries/3DPX-012085

Description: No description available

---

1746. SHP2 Allosteric inhibitor SHP099

Link: https://3d.nih.gov/entries/3DPX-012090

Description: SHP2 Allosteric inhibitor SHP099, structure derived from PDB 6BMY where SHP099 is bound to SHP2

---

1747. DMB-3ring-thiol

Link: https://3d.nih.gov/entries/3DPX-012091

Description: No description available

---

1748. Biliverdin

Link: https://3d.nih.gov/entries/3DPX-012093

Description: Biliverdin is a linear tetrapyrrole produced in the reticuloendothelial system by the first step of heme degradation, catalysed by heme oxygenase. It has a role as a human metabolite and a mouse me...

---

1749. Topiramate

Link: https://3d.nih.gov/entries/3DPX-012100

Description: Topiramate is a hexose derivative that is 2,3:4,5-di-O-isopropylidene-beta-D-fructopyranose in which the hydroxy group has been converted to the corresponding sulfamate ester. It blocks voltage-dep...

---

1750. Boron Carbide (B4C)

Link: https://3d.nih.gov/entries/3DPX-012143

Description: No description available

---

1751. Variant1

Link: https://3d.nih.gov/entries/3DPX-012170

Description: No description available

---

1752. Variant2

Link: https://3d.nih.gov/entries/3DPX-012171

Description: No description available

---

1753. urethane dimethacrylate

Link: https://3d.nih.gov/entries/3DPX-012173

Description: No description available

---

1754. Benzene

Link: https://3d.nih.gov/entries/3DPX-012177

Description: No description available

---

1755. Test molecule

Link: https://3d.nih.gov/entries/3DPX-012184

Description: No description available

---

1756. SORL1-2210P

Link: https://3d.nih.gov/entries/3DPX-012202

Description: No description available

---

1757. SORL1-2210s

Link: https://3d.nih.gov/entries/3DPX-012203

Description: No description available

---

1758. Adapalene

Link: https://3d.nih.gov/entries/3DPX-012214

Description: Adapalene is a naphthoic acid that is CD437 in which the phenolic hydroxy group has been converted to its methyl ether. It has a role as a dermatologic drug, a non-steroidal anti-inflammatory drug ...

---

1759. Allopurinol

Link: https://3d.nih.gov/entries/3DPX-012217

Description: Allopurinol is a bicyclic structure comprising a pyrazole ring fused to a hydroxy-substituted pyrimidine ring. It has a role as a radical scavenger, a gout suppressant, an antimetabolite and an EC ...

---

1760. Baclofen

Link: https://3d.nih.gov/entries/3DPX-012226

Description: No description available

---

1761. Benazepril

Link: https://3d.nih.gov/entries/3DPX-012227

Description: Benazepril is a benzazepine that is benazeprilat in which the carboxy group of the 2-amino-4-phenylbutanoic acid moiety has been converted to the corresponding ethyl ester. It is used (generally as...

---

1762. Benztropine

Link: https://3d.nih.gov/entries/3DPX-012229

Description: Benzatropine is tropane in which a hydrogen at position 3 is substituted by a diphenylmethoxy group (endo-isomer). An acetylcholine receptor antagonist, it is used (particularly as its methanesulph...

---

1763. Naproxen

Link: https://3d.nih.gov/entries/3DPX-001223

Description: Naproxen is a methoxynaphthalene that is 2-methoxynaphthalene substituted by a carboxy ethyl group at position 6. Naproxen is a non-steroidal anti-inflammatory drug commonly used for the reduction ...

---

1764. Budesonide

Link: https://3d.nih.gov/entries/3DPX-012232

Description: Budesonide is a glucocorticoid steroid having a highly oxygenated pregna-1,4-diene structure. It is used mainly in the treatment of asthma and non-infectious rhinitis and for treatment and preventi...

---

1765. Arformoterol

Link: https://3d.nih.gov/entries/3DPX-012233

Description: Arformoterol is an N-[2-hydroxy-5-(1-hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)phenyl]formamide in which both of the stereocentres have R configuration. The active enantiomer of formot...

---

1766. Chlorhexidine

Link: https://3d.nih.gov/entries/3DPX-012242

Description: Chlorhexidine is a bisbiguanide compound with a structure consisting of two (p-chlorophenyl)guanide units linked by a hexamethylene bridge. It has a role as an antiinfective agent and an antibacter...

---

1767. Chlorthalidone

Link: https://3d.nih.gov/entries/3DPX-012243

Description: No description available

---

1768. Citalopram

Link: https://3d.nih.gov/entries/3DPX-012244

Description: No description available

---

1769. 1,2-Dichloroethane

Link: https://3d.nih.gov/entries/3DPX-001225

Description: 1,2-dichloroethane is a member of the class of chloroethanes substituted by two chloro groups at positions 1 and 2. It has a role as a non-polar solvent, a hepatotoxic agent and a mutagen.

---

1770. 2-[6-Chloro-2-(4-methoxyphenyl)benzimidazol-1-yl]oxyacetate

Link: https://3d.nih.gov/entries/3DPX-001226

Description: No description available

---

1771. Doxorubicin

Link: https://3d.nih.gov/entries/3DPX-012269

Description: Doxorubicin is a deoxy hexoside, an anthracycline, an anthracycline antibiotic, an aminoglycoside, a member of tetracenequinones, a member of p-quinones, a primary alpha-hydroxy ketone and a tertia...

---

1772. 2,4-Dimethoxy-4'-methylazobenzene

Link: https://3d.nih.gov/entries/3DPX-012271

Description: No description available

---

1773. 2,4-Dimethoxy-2'-methylazobenzene

Link: https://3d.nih.gov/entries/3DPX-012277

Description: No description available

---

1774. 10-Deacetylbaccatin III

Link: https://3d.nih.gov/entries/3DPX-012280

Description: 10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III.

---

1775. N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-6-nonenamide

Link: https://3d.nih.gov/entries/3DPX-001235

Description: An alkylamide found in CAPSICUM that acts at TRPV CATION CHANNELS.

---

1776. HIPS

Link: https://3d.nih.gov/entries/3DPX-012367

Description: No description available

---

1777. HIPS

Link: https://3d.nih.gov/entries/3DPX-012369

Description: No description available

---

1778. Hydrocortisone

Link: https://3d.nih.gov/entries/3DPX-001237

Description: Cortisol is a 17alpha-hydroxy-C21-steroid that is pregn-4-ene substituted by oxo groups at positions 3 and 20 and hydroxy groups at positions 11, 17 and 21. Cortisol is a corticosteroid hormone or ...

---

1779. glycerol

Link: https://3d.nih.gov/entries/3DPX-012380

Description: No description available

---

1780. propylene glycol

Link: https://3d.nih.gov/entries/3DPX-012382

Description: No description available

---

1781. Twistane

Link: https://3d.nih.gov/entries/3DPX-012437

Description: Twistane is a polycyclic alkane.

---

1782. Arginine

Link: https://3d.nih.gov/entries/3DPX-001244

Description: L-arginine is an L-alpha-amino acid that is the L-isomer of arginine. It has a role as a nutraceutical, a biomarker, a micronutrient, an Escherichia coli metabolite and a mouse metabolite. It is a ...

---

1783. Histidine

Link: https://3d.nih.gov/entries/3DPX-001245

Description: L-histidine is the L-enantiomer of the amino acid histidine. It has a role as a nutraceutical, a micronutrient, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a human metabo...

---

1784. Alpha-Glucose_Ball-Stick

Link: https://3d.nih.gov/entries/3DPX-012450

Description: No description available

---

1785. Methylphenodate-Ball-Stick

Link: https://3d.nih.gov/entries/3DPX-012451

Description: No description available

---

1786. Ozonide

Link: https://3d.nih.gov/entries/3DPX-012456

Description: No description available

---

1787. Lysine

Link: https://3d.nih.gov/entries/3DPX-001246

Description: L-lysine is an L-alpha-amino acid; the L-isomer of lysine. It has a role as a micronutrient, a nutraceutical, an anticonvulsant, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolit...

---

1788. Aspartic acid

Link: https://3d.nih.gov/entries/3DPX-001247

Description: L-aspartic acid is the L-enantiomer of aspartic acid. It has a role as an Escherichia coli metabolite, a mouse metabolite and a neurotransmitter. It is an aspartate family amino acid, a proteinogen...

---

1789. Glutamic Acid

Link: https://3d.nih.gov/entries/3DPX-001248

Description: L-glutamic acid is an optically active form of glutamic acid having L-configuration. It has a role as a nutraceutical, a micronutrient, an Escherichia coli metabolite, a mouse metabolite, a ferropt...

---

1790. Serine

Link: https://3d.nih.gov/entries/3DPX-001249

Description: L-serine is the L-enantiomer of serine. It has a role as a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a mouse metabolite. It is...

---

1791. Abiraterone

Link: https://3d.nih.gov/entries/3DPX-012499

Description: No description available

---

1792. L-threonine

Link: https://3d.nih.gov/entries/3DPX-001250

Description: L-threonine is an optically active form of threonine having L-configuration. It has a role as a nutraceutical, a micronutrient, a Saccharomyces cerevisiae metabolite, a plant metabolite, an Escheri...

---

1793. Methyl isothiocyanate

Link: https://3d.nih.gov/entries/3DPX-012503

Description: Methyl isothiocyanate is an isothiocyanate having a methyl group attached to the nitrogen. It is also the active nematicide of the pronematicide metam-sodium. It has a role as a fumigant, a nematic...

---

1794. valine a1

Link: https://3d.nih.gov/entries/3DPX-012504

Description: No description available

---

1795. Aspartic Acid a1

Link: https://3d.nih.gov/entries/3DPX-012505

Description: No description available

---

1796. Glutamic Acid a1

Link: https://3d.nih.gov/entries/3DPX-012506

Description: No description available

---

1797. Asparagine

Link: https://3d.nih.gov/entries/3DPX-001251

Description: L-asparagine is an optically active form of asparagine having L-configuration. It has a role as a nutraceutical, a micronutrient, a human metabolite, a Saccharomyces cerevisiae metabolite, an Esche...

---

1798. Diacylglycerol kinase inhibitor i

Link: https://3d.nih.gov/entries/3DPX-012510

Description: 6-[2-[4-[(4-fluorophenyl)-phenylmethylidene]-1-piperidinyl]ethyl]-7-methyl-5-thiazolo[3,2-a]pyrimidinone is a diarylmethane.

---

1799. Tridecyl 2-(hydroxymethyl)-6-oxooxane-3-carboxylate

Link: https://3d.nih.gov/entries/3DPX-012511

Description: No description available

---

1800. 3-Fluorotoluene

Link: https://3d.nih.gov/entries/3DPX-012512

Description: 3-fluorotoluene appears as a colorless liquid with an aromatic odor. Boiling point 239°C. Flash point 63°F. Density 0.991 g / cm3 --- may float or sink in water. (USCG, 1999)

---

1801. Methamphetamine

Link: https://3d.nih.gov/entries/3DPX-012519

Description: No description available

---

1802. Glutamine

Link: https://3d.nih.gov/entries/3DPX-001252

Description: L-glutamine is an optically active form of glutamine having L-configuration. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor, a nutraceutical, a micronutrient, a human metabolit...

---

1803. Adderall

Link: https://3d.nih.gov/entries/3DPX-012522

Description: No description available

---

1804. Cysteine

Link: https://3d.nih.gov/entries/3DPX-001253

Description: L-cysteine is an optically active form of cysteine having L-configuration. It has a role as a flour treatment agent, a human metabolite and an EC 4.3.1.3 (histidine ammonia-lyase) inhibitor. It is ...

---

1805. 3 chains no mutation 1/2

Link: https://3d.nih.gov/entries/3DPX-012532

Description: No description available

---

1806. whole a1

Link: https://3d.nih.gov/entries/3DPX-012533

Description: No description available

---

1807. 4-[(2S)-1-(Butylamino)-2-hydroxypropan-2-yl]-2-(hydroxymethyl)phenol

Link: https://3d.nih.gov/entries/3DPX-012537

Description: No description available

---

1808. carbon nanotube

Link: https://3d.nih.gov/entries/3DPX-012549

Description: No description available

---

1809. Glycine

Link: https://3d.nih.gov/entries/3DPX-001255

Description: Glycine is the simplest (and the only achiral) proteinogenic amino acid, with a hydrogen atom as its side chain. It has a role as a nutraceutical, a hepatoprotective agent, an EC 2.1.2.1 (glycine h...

---

1810. Adenosine-3'-5'-diphosphate

Link: https://3d.nih.gov/entries/3DPX-012551

Description: Adenosine 3',5'-bismonophosphate is an adenosine bisphosphate having two monophosphate groups at the 3'- and 5'-positions. It has a role as an Escherichia coli metabolite and a mouse metabolite. It...

---

1811. Amidate

Link: https://3d.nih.gov/entries/3DPX-012553

Description: 3-(1-phenylethyl)-4-imidazolecarboxylic acid ethyl ester is a member of imidazoles.

---

1812. pubchem 5315659

Link: https://3d.nih.gov/entries/3DPX-012555

Description: No description available

---

1813. Queen substance

Link: https://3d.nih.gov/entries/3DPX-012558

Description: No description available

---

1814. Queen substance

Link: https://3d.nih.gov/entries/3DPX-012559

Description: 9-Oxo-2E-decenoic acid is a medium-chain fatty acid.

---

1815. Proline

Link: https://3d.nih.gov/entries/3DPX-001256

Description: L-proline is pyrrolidine in which the pro-S hydrogen at position 2 is substituted by a carboxylic acid group. L-Proline is the only one of the twenty DNA-encoded amino acids which has a secondary a...

---

1816. ibuprofen

Link: https://3d.nih.gov/entries/3DPX-012560

Description: No description available

---

1817. cis-7,8-Epoxy-2-methyloctadecane

Link: https://3d.nih.gov/entries/3DPX-012561

Description: No description available

---

1818. Alanine

Link: https://3d.nih.gov/entries/3DPX-001257

Description: L-alanine is the L-enantiomer of alanine. It has a role as an EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor and a fundamental metabolite. It is a pyruvate family amino acid, a proteinogen...

---

1819. 5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine

Link: https://3d.nih.gov/entries/3DPX-012572

Description: L787257 is a member of bipyridines.

---

1820. Etoricoxib

Link: https://3d.nih.gov/entries/3DPX-012573

Description: Etoricoxib is a member of the class of bipyridines that is 2,3'-bipyridine which is substituted at the 3, 5, and 6' positions by 4-(methylsulfonyl)phenyl, chlorine, and methyl groups, respectively....

---

1821. Valine

Link: https://3d.nih.gov/entries/3DPX-001258

Description: L-valine is the L-enantiomer of valine. It has a role as a nutraceutical, a micronutrient, a human metabolite, an algal metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabo...

---

1822. 6nv7-ligand-3D-print

Link: https://3d.nih.gov/entries/3DPX-012584

Description: 6nv7-ligand-3D-print

---

1823. l-Isoleucine

Link: https://3d.nih.gov/entries/3DPX-001259

Description: L-isoleucine is the L-enantiomer of isoleucine. It has a role as a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite, a plant metabolite, a human metabolite, an algal metabolite a...

---

1824. Leucine

Link: https://3d.nih.gov/entries/3DPX-001260

Description: L-leucine is the L-enantiomer of leucine. It has a role as a plant metabolite, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite, a human metabolite, an algal metabolite and a m...

---

1825. Sarpogrelate

Link: https://3d.nih.gov/entries/3DPX-012602

Description: Sarpogrelate is a stilbenoid and a hemisuccinate.

---

1826. Etilefrine

Link: https://3d.nih.gov/entries/3DPX-012603

Description: 3-[2-(ethylamino)-1-hydroxyethyl]phenol is a member of phenols.

---

1827. N,N-di-n-propyldopamine

Link: https://3d.nih.gov/entries/3DPX-012604

Description: 4-[2-(dipropylamino)ethyl]benzene-1,2-diol is a catecholamine.

---

1828. (2s)-2,5,7,8-Tetramethyl-2-[(4r,8s)-4,8,12-trimethyltridecyl]-3,4-dihydro-2h-chromen-6-ol

Link: https://3d.nih.gov/entries/3DPX-012605

Description: (S,R,S)-alpha-tocopherol is the (S,R,S)-stereoisomer of alpha-tocopherol. It is an enantiomer of a (R,S,R)-alpha-tocopherol.

---

1829. Zoxazolamine

Link: https://3d.nih.gov/entries/3DPX-012606

Description: Zoxazolamine is a benzoxazole.

---

1830. Methionine

Link: https://3d.nih.gov/entries/3DPX-001261

Description: L-methionine is the L-enantiomer of methionine. It has a role as a nutraceutical, a micronutrient, an antidote to paracetamol poisoning, a human metabolite and a mouse metabolite. It is an aspartat...

---

1831. 11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Link: https://3d.nih.gov/entries/3DPX-012611

Description: 11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one is an oxo steroid.

---

1832. 2,7-Diaminomitosene

Link: https://3d.nih.gov/entries/3DPX-012612

Description: No description available

---

1833. Levmetamfetamine

Link: https://3d.nih.gov/entries/3DPX-012613

Description: Levmetamfetamine is a member of amphetamines.

---

1834. Hydrocortisone-d4

Link: https://3d.nih.gov/entries/3DPX-012615

Description: No description available

---

1835. Phenylalanine

Link: https://3d.nih.gov/entries/3DPX-001262

Description: L-phenylalanine is the L-enantiomer of phenylalanine. It has a role as a nutraceutical, a micronutrient, an Escherichia coli metabolite, a Saccharomyces cerevisiae metabolite, a plant metabolite, a...

---

1836. 2-(11H-benzo[a]fluoren-11-yl)acetic acid

Link: https://3d.nih.gov/entries/3DPX-012621

Description: 11H-benzo[a]fluoren-11-ylacetic acid is a carbotetracyclic compound that is 11H-benzo[a]fluorene substituted by a carboxymethyl group at position 11. It is a monocarboxylic acid and a carbotetracyc...

---

1837. Tyrosine

Link: https://3d.nih.gov/entries/3DPX-001263

Description: L-tyrosine is an optically active form of tyrosine having L-configuration. It has a role as an EC 1.3.1.43 (arogenate dehydrogenase) inhibitor, a nutraceutical, a micronutrient and a fundamental me...

---

1838. Penconazole

Link: https://3d.nih.gov/entries/3DPX-012630

Description: 1-[2-(2,4-dichlorophenyl)pentyl]1,2,4-triazole is a member of the classof triazoles that is 1,2,4-triazole substituted at position 1 by a 2-(2,4-dichlorophenyl)pentyl group. It is a dichlorobenzene...

---

1839. Tryptophan

Link: https://3d.nih.gov/entries/3DPX-001264

Description: L-tryptophan is the L-enantiomer of tryptophan. It has a role as an antidepressant, a nutraceutical, a micronutrient, a plant metabolite, a human metabolite, a Saccharomyces cerevisiae metabolite, ...

---

1840. genomer 1122

Link: https://3d.nih.gov/entries/3DPX-012653

Description: molecule used in PR 48

---

1841. genomer 1122

Link: https://3d.nih.gov/entries/3DPX-012654

Description: molecule used in PR 48

---

1842. Sartomer 494

Link: https://3d.nih.gov/entries/3DPX-012655

Description: oligimer in PR 48

---

1843. TPO

Link: https://3d.nih.gov/entries/3DPX-012657

Description: photoinitiator in Pr 48

---

1844. Sartomer 494

Link: https://3d.nih.gov/entries/3DPX-012658

Description: oligimer in PR 48

---

1845. ellenex 8210

Link: https://3d.nih.gov/entries/3DPX-012659

Description: oligimer in Pr 48 resin

---

1846. Mayzo B+

Link: https://3d.nih.gov/entries/3DPX-012660

Description: Uv Blocker in PR 48

---

1847. trans-Cyclooctene

Link: https://3d.nih.gov/entries/3DPX-012662

Description: Trans-cyclooctene is a cycloalkene with an eight-memberecd ring.

---

1848. Hexane Test

Link: https://3d.nih.gov/entries/3DPX-012665

Description: Testing mol file from pubmed

---

1849. N-Hydroxyphthalimide

Link: https://3d.nih.gov/entries/3DPX-012685

Description: No description available

---

1850. Hypercubane

Link: https://3d.nih.gov/entries/3DPX-012692

Description: Theoretical Hypercubane Model

---

1851. 4hfz_cav

Link: https://3d.nih.gov/entries/3DPX-012703

Description: 4hfz_cav

---

1852. Threephenylborate

Link: https://3d.nih.gov/entries/3DPX-012717

Description: Threephenylborate

---

1853. 4-tert-Butylbenzaldehyde

Link: https://3d.nih.gov/entries/3DPX-012743

Description: No description available

---

1854. ivacaftor

Link: https://3d.nih.gov/entries/3DPX-012745

Description: Ivacaftor from PDF:6o2p

---

1855. rac-trans-Sertraline

Link: https://3d.nih.gov/entries/3DPX-012761

Description: No description available

---

1856. (1R,4R)-4-(2,3-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Link: https://3d.nih.gov/entries/3DPX-012762

Description: No description available

---

1857. Methandrostenolone

Link: https://3d.nih.gov/entries/3DPX-012763

Description: Methandrostenolone is an organic molecular entity.

---

1858. (1R,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Link: https://3d.nih.gov/entries/3DPX-012764

Description: No description available

---

1859. Sumanene

Link: https://3d.nih.gov/entries/3DPX-012767

Description: No description available

---

1860. [6]Cycloparaphenylene

Link: https://3d.nih.gov/entries/3DPX-012768

Description: No description available

---

1861. trithiasumanene

Link: https://3d.nih.gov/entries/3DPX-012769

Description: trithiasumanene

---

1862. C60

Link: https://3d.nih.gov/entries/3DPX-012771

Description: C60

---

1863. CID 25

Link: https://3d.nih.gov/entries/3DPX-001278

Description: No description available

---

1864. Hematoxylin

Link: https://3d.nih.gov/entries/3DPX-012792

Description: 3D model of the hematoxylin molecule.

---

1865. 1-(4-Fluorophenyl)-3-[4-methoxy-3-[(2,4,6-trichlorophenoxy)methyl]phenyl]prop-2-en-1-one

Link: https://3d.nih.gov/entries/3DPX-012795

Description: No description available

---

1866. (1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

Link: https://3d.nih.gov/entries/3DPX-012797

Description: (1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine is a member of tetralins.

---

1867. 11-H-12-E-LA

Link: https://3d.nih.gov/entries/3DPX-012798

Description: lipid

---

1868. 6-Sulfoquinovose

Link: https://3d.nih.gov/entries/3DPX-012803

Description: 6-sulfo-D-quinovose is a carbohydrate sulfonate that is D-quinovose (6-deoxy-D-glucose) in which one of the methyl hydrogens at position 6 is replaced by a sulfo group. It has a role as a metabolit...

---

1869. 9-HODE

Link: https://3d.nih.gov/entries/3DPX-012808

Description: 9-Hydroxyoctadecadienoic acid

---

1870. Dinoprostone

Link: https://3d.nih.gov/entries/3DPX-012809

Description: Prostaglandin E2 is prostaglandin F2alpha in which the hydroxy group at position 9 has been oxidised to the corresponding ketone. Prostaglandin E2 is the most common and most biologically potent of...

---

1871. Prostaglandin E2

Link: https://3d.nih.gov/entries/3DPX-012810

Description: PGE2

---

1872. resiniferatoxin

Link: https://3d.nih.gov/entries/3DPX-012811

Description: RTX

---

1873. Ivermectin

Link: https://3d.nih.gov/entries/3DPX-012812

Description: Ivermectin is a macrocyclic lactone derived from Streptomyces avermitilis with antiparasitic activity. Ivermectin exerts its anthelmintic effect via activating glutamate-gated chloride&nb...

---

1874. test

Link: https://3d.nih.gov/entries/3DPX-012815

Description: test

---

1875. Strychnine

Link: https://3d.nih.gov/entries/3DPX-012816

Description: ochem III trial model

---

1876. Small Carbon Structure

Link: https://3d.nih.gov/entries/3DPX-012820

Description: Model of CH structure

---

1877. C60_at_H2O

Link: https://3d.nih.gov/entries/3DPX-012821

Description: C60_at_H2O

---

1878. 3-Hydroxy-4,5-dimethylfuran-2(5H)-one

Link: https://3d.nih.gov/entries/3DPX-012829

Description: Sotolone is a butenolide. It has a role as a metabolite.

---

1879. macrocyclic D-A-D-A

Link: https://3d.nih.gov/entries/3DPX-012837

Description: macrocyclic D-A-D-A

---

1880. methotrexate

Link: https://3d.nih.gov/entries/3DPX-012840

Description: DHFR inhibitor

---

1881. 18-crwon-6_K

Link: https://3d.nih.gov/entries/3DPX-012844

Description: 18-crwon-6_K

---

1882. Maltol

Link: https://3d.nih.gov/entries/3DPX-012851

Description: 3-hydroxy-2-methyl-4-pyrone is a member of 4-pyranones. It has a role as a metabolite.

---

1883. tert-Butyl sulfide

Link: https://3d.nih.gov/entries/3DPX-012852

Description: No description available

---

1884. All Carbon Trefoil Knot

Link: https://3d.nih.gov/entries/3DPX-012857

Description: All Carbon Trefoil Knot

---

1885. Small Molecule

Link: https://3d.nih.gov/entries/3DPX-012862

Description: Small Molecule

---

1886. Grubbs 2nd Generation Catalyst

Link: https://3d.nih.gov/entries/3DPX-012868

Description: Grubbs 2nd Generation Catalyst

---

1887. Vitamine B12

Link: https://3d.nih.gov/entries/3DPX-012869

Description: Vitamine B12

---

1888. Penicillin

Link: https://3d.nih.gov/entries/3DPX-012870

Description: Penicillin

---

1889. Tetrakis(triphenylphosphine)palladium

Link: https://3d.nih.gov/entries/3DPX-012871

Description: Tetrakis(triphenylphosphine)palladium

---

1890. 2-Methoxybenzoylformic acid, TMS

Link: https://3d.nih.gov/entries/3DPX-012888

Description: No description available

---

1891. Argatroban

Link: https://3d.nih.gov/entries/3DPX-012899

Description: Needed for Project

---

1892. M6L4 complex

Link: https://3d.nih.gov/entries/3DPX-012904

Description: M6L4 complex

---

1893. M6L4 complex

Link: https://3d.nih.gov/entries/3DPX-012905

Description: M6L4 complex

---

1894. Fluticasone furoate

Link: https://3d.nih.gov/entries/3DPX-012907

Description: Fluticasone furoate is a trifluorinated corticosteroid that consists of 6alpha,9-difluoro-11beta,17alpha-dihydroxy-17beta-{[(fluoromethyl)sulfanyl]carbonyl}-16-methyl-3-oxoandrosta-1,4-diene bearin...

---

1895. 2-[[5-[(4-chloroanilino)methyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide

Link: https://3d.nih.gov/entries/3DPX-012908

Description: No description available

---

1896. Umeclidinium

Link: https://3d.nih.gov/entries/3DPX-012909

Description: Umeclidinium is a quaternary ammonium ion that is quinuclidine substituted at positions 1 and 4 by 2-(benzyloxy)ethyl and hydroxy(diphenyl)methyl groups respectively. It has a role as a muscarinic ...

---

1897. M48L96 complex

Link: https://3d.nih.gov/entries/3DPX-012910

Description: M48L96 complex

---

1898. Octanitrocubane

Link: https://3d.nih.gov/entries/3DPX-012911

Description: No description available

---

1899. 1-(2-Hydroxyethyl)-3-methylimidazolium

Link: https://3d.nih.gov/entries/3DPX-012912

Description: No description available

---

1900. Trichloroacetic acid

Link: https://3d.nih.gov/entries/3DPX-012914

Description: Trichloroacetic acid is a monocarboxylic acid that is acetic acid in which all three methyl hydrogens are substituted by chlorine. It has a role as a metabolite, a carcinogenic agent and a mouse me...

---

1901. N,N-Dimethyltetradecylamine

Link: https://3d.nih.gov/entries/3DPX-012917

Description: Dimethyltetradecanamine appears as a light yellow liquid with a fishlike odor. Insoluble in water and less dense than water. Hence floats on water. Contact may irritate skin, eyes and mucous membra...

---

1902. GaN

Link: https://3d.nih.gov/entries/3DPX-012925

Description: GaN

---

1903. N-Cyclopropyl-1,3-dimethylhexylamine

Link: https://3d.nih.gov/entries/3DPX-012926

Description: No description available

---

1904. Rosterolone

Link: https://3d.nih.gov/entries/3DPX-012927

Description: No description available

---

1905. Spartan Test Molecule

Link: https://3d.nih.gov/entries/3DPX-001293

Description: No description available

---

1906. 5-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

Link: https://3d.nih.gov/entries/3DPX-012953

Description: No description available

---

1907. Sulfamethazine

Link: https://3d.nih.gov/entries/3DPX-012955

Description: Sulfamethazine is a sulfonamide consisting of pyrimidine with methyl substituents at the 4- and 6-positions and a 4-aminobenzenesulfonamido group at the 2-position. It has a role as an antiinfectiv...

---

1908. Quinidex

Link: https://3d.nih.gov/entries/3DPX-012958

Description: Quinidine is a cinchona alkaloid consisting of cinchonine with the hydrogen at the 6-position of the quinoline ring substituted by methoxy. It has a role as an alpha-adrenergic antagonist, an antim...

---

1909. Rubrene

Link: https://3d.nih.gov/entries/3DPX-012967

Description: No description available

---

1910. Tetraethyl orthosilicate

Link: https://3d.nih.gov/entries/3DPX-012984

Description: Ethyl silicate appears as a clear colorless liquid with a faint odor. Flash point 125°F. Less dense than water. Vapors are heavier than air.

---

1911. 4,6-Dioxooct-2-enedioic acid

Link: https://3d.nih.gov/entries/3DPX-001300

Description: No description available

---

1912. Curdlan II

Link: https://3d.nih.gov/entries/3DPX-013002

Description: triplex of right-handed, sixfold helical chains in a hexagonal unit cell

---

1913. Vilazodone

Link: https://3d.nih.gov/entries/3DPX-013022

Description: Vilazodone

---

1914. Miranda

Link: https://3d.nih.gov/entries/3DPX-013025

Description: for Miranda's Graduation gift

---

1915. Perfluorooctanoic acid

Link: https://3d.nih.gov/entries/3DPX-013033

Description: Perfluorooctanoic acid is a fluoroalkanoic acid that is perfluorinated octanoic acid. It has a role as an environmental contaminant, a xenobiotic, a carcinogenic agent, a surfactant and an endocrin...

---

1916. LTL zeolite

Link: https://3d.nih.gov/entries/3DPX-013041

Description: Linde type L zeolite with pore channels

---

1917. (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 1H-indazole-3-carboxylate

Link: https://3d.nih.gov/entries/3DPX-013047

Description: No description available

---

1918. 4-Cyclopropyl-7-(trifluoromethyl)-5-[6-(trifluoromethyl)pyridin-3-yl]sulfonyl-1,4-dihydropyrazolo[4,3-c]quinoline

Link: https://3d.nih.gov/entries/3DPX-013048

Description: No description available

---

1919. N-Isopropylacrylamide

Link: https://3d.nih.gov/entries/3DPX-013049

Description: No description available

---

1920. 1,2,3,5-Tetrahydroxybenzene

Link: https://3d.nih.gov/entries/3DPX-001305

Description: 1,2,3,5-tetrahydroxybenzene is a benzenetetrol.

---

1921. 4-Guanidinobutyric acid

Link: https://3d.nih.gov/entries/3DPX-001306

Description: 4-guanidinobutanoic acid is the 4-guanidino derivative of butanoic acid. It has a role as a fungal metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabolite. It is functionally relat...

---

1922. Phlorizin

Link: https://3d.nih.gov/entries/3DPX-013063

Description: Phlorizin is an aryl beta-D-glucoside that is phloretin attached to a beta-D-glucopyranosyl residue at position 2' via a glycosidic linkage. It has a role as a plant metabolite and an antioxidant. ...

---

1923. Phosgene

Link: https://3d.nih.gov/entries/3DPX-013069

Description: Phosgene

---

1924. jaxi

Link: https://3d.nih.gov/entries/3DPX-013072

Description: test

---

1925. THC

Link: https://3d.nih.gov/entries/3DPX-013074

Description: just a THC moleclule

---

1926. N-hydroxy-2-(3-hydroxypropyl)-N'-[1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide

Link: https://3d.nih.gov/entries/3DPX-013078

Description: No description available

---

1927. ZINC1708313

Link: https://3d.nih.gov/entries/3DPX-013080

Description: Small Compound for SLC5

---

1928. ZINC121

Link: https://3d.nih.gov/entries/3DPX-013081

Description: small molecule compound for SLC5

---

1929. 6-Cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione

Link: https://3d.nih.gov/entries/3DPX-013087

Description: No description available

---

1930. ions

Link: https://3d.nih.gov/entries/3DPX-013090

Description: Just the 5KEG ions

---

1931. Ions and DNA

Link: https://3d.nih.gov/entries/3DPX-013092

Description: 5KEG ions and DNA

---

1932. Cefiderocol

Link: https://3d.nih.gov/entries/3DPX-013095

Description: No description available

---

1933. structure

Link: https://3d.nih.gov/entries/3DPX-013096

Description: adss

---

1934. 3H-Pyrazol-3-one, 2,4-dihydro-2,4-dimethyl-

Link: https://3d.nih.gov/entries/3DPX-013097

Description: No description available

---

1935. Butyrate

Link: https://3d.nih.gov/entries/3DPX-013098

Description: Butyrate is a short-chain fatty acid anion that is the conjugate base of butyric acid, obtained by deprotonation of the carboxy group. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibito...

---

1936. Propionate

Link: https://3d.nih.gov/entries/3DPX-013099

Description: Propionate is the conjugate base of propionic acid; a key precursor in lipid biosynthesis. It has a role as a human metabolite. It is a conjugate base of a propionic acid.

---

1937. Novobiocin

Link: https://3d.nih.gov/entries/3DPX-013109

Description: Novobiocin is a coumarin-derived antibiotic obtained from Streptomyces niveus. It has a role as an antibacterial agent, an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an antimicrob...

---

1938. CID 5000

Link: https://3d.nih.gov/entries/3DPX-001311

Description: No description available

---

1939. C6D V2

Link: https://3d.nih.gov/entries/3DPX-013118

Description: CTZ

---

1940. Violacein

Link: https://3d.nih.gov/entries/3DPX-013119

Description: Violacein is a member of the class of hydroxyindoles resulting from the formal oxidative coupling between the 3-position of 1,3-dihydro-2H-indol-2-one and the 3-position of 1,3-dihydro-2H-pyrrol-2-...

---

1941. N-[4-(4-butylcyclohexyl)but-1-en-2-yl]-1,5-dimethyl-6-[4-(4-propylcyclohexyl)but-1-en-2-yl]-6-azabicyclo[3.2.1]octan-3-amine

Link: https://3d.nih.gov/entries/3DPX-013122

Description: No description available

---

1942. Test Number 2

Link: https://3d.nih.gov/entries/3DPX-001313

Description: No description available

---

1943. jayxi

Link: https://3d.nih.gov/entries/3DPX-013145

Description: jaxi

---

1944. Chlorizidine A

Link: https://3d.nih.gov/entries/3DPX-013149

Description: (-)-(S)-chlorizidine A is an alkaloid natural product containing chlorinated pyrroloisoindolone and pyrrolizine rings found in a marine Streptomyces sp.. It has a role as a bacterial metabolite, a ...

---

1945. Novichok

Link: https://3d.nih.gov/entries/3DPX-013153

Description: Novichok

---

1946. Calcitriol

Link: https://3d.nih.gov/entries/3DPX-001453

Description: Calcitriol is a hydroxycalciol that is calcidiol in which the pro-S hydrogen of calcidiol is replaced by a hydroxy group. It is the active form of vitamin D3, produced fom calciol via hydoxylation ...

---

1947. Aurin

Link: https://3d.nih.gov/entries/3DPX-014538

Description: Aurin is a diarylmethane.

---

1948. 5,6-trans-Vitamin D2

Link: https://3d.nih.gov/entries/3DPX-001454

Description: 5,6-trans-Vitamin D2 is a vitamin D.

---

1949. cis-2-Butene

Link: https://3d.nih.gov/entries/3DPX-014546

Description: Cis-but-2-ene is a but-2-ene.

---

1950. Pantothenic acid

Link: https://3d.nih.gov/entries/3DPX-001455

Description: (R)-pantothenic acid is a pantothenic acid having R-configuration. It has a role as an antidote to curare poisoning, a human blood serum metabolite and a geroprotector. It is a vitamin B5 and a pan...

---

1951. tetrahydrofuran-2-ylmethyl 2-amino-1-phenyl-1H-pyrrolo[2,3-b]quinoxaline-3-carboxylate

Link: https://3d.nih.gov/entries/3DPX-014565

Description: No description available

---

1952. Cardiolipin

Link: https://3d.nih.gov/entries/3DPX-014566

Description: Cardiolipin

---

1953. Tocopherols

Link: https://3d.nih.gov/entries/3DPX-001458

Description: A collective name for a group of closely related lipids that contain substitutions on the 2H-1-benzopyran-6-ol nucleus and a long hydrocarbon chain of isoprenoid units. They are antioxidants by vir...

---

1954. Co-Ru metal-organic framework

Link: https://3d.nih.gov/entries/3DPX-014583

Description: Co-Ru was constructed by cobalt ion and ruthenium complex through coordinate bone.

---

1955. Methyl vinyl ketone

Link: https://3d.nih.gov/entries/3DPX-014584

Description: Buten-2-one is a methyl ketone that is butan-2-one with an unsaturation at position 3. It is a methyl ketone and an enone. It is functionally related to a butan-2-one and a but-1-ene.

---

1956. 2-(3,4-dimethoxyphenyl)-7,8-dihydroxy-4H-chromen-4-one

Link: https://3d.nih.gov/entries/3DPX-014589

Description: No description available

---

1957. Isotretinoin

Link: https://3d.nih.gov/entries/3DPX-001459

Description: Isotretinoin is a retinoic acid that is all-trans-retinoic acid in which the double bond which is alpha,beta- to the carboxy group is isomerised to Z configuration. A synthetic retinoid, it is used...

---

1958. 3-(5-Chloro-2-hydroxybenzyl)-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazol-2(3H)-one

Link: https://3d.nih.gov/entries/3DPX-014597

Description: 3-[(5-chloro-2-hydroxyphenyl)methyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-one is a member of (trifluoromethyl)benzenes.

---

1959. p-Xylene

Link: https://3d.nih.gov/entries/3DPX-014600

Description: P-xylene is a xylene with methyl groups at positions 1 and 4.

---

1960. 7,8-Dihydro-14-hydroxymorphinone

Link: https://3d.nih.gov/entries/3DPX-014608

Description: No description available

---

1961. Hydroxystilbamidine

Link: https://3d.nih.gov/entries/3DPX-014609

Description: Hydroxystilbamidine is a stilbenoid.

---

1962. CTAB

Link: https://3d.nih.gov/entries/3DPX-014612

Description: Cetrimonium bromide; 57-09-0; Hexadecyltrimethylammonium bromide; Cetyltrimethylammonium bromide; CTAB; Centimide; Bromat; Ctmab; ... Compound CID: 5974 MF: C19H42BrN MW: 36...

---

1963. Na-binaphtholate

Link: https://3d.nih.gov/entries/3DPX-014613

Description: ormula C20H12Na2O2

---

1964. 4-(6-(4-(Piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline

Link: https://3d.nih.gov/entries/3DPX-014615

Description: 4-[6-[4-(1-piperazinyl)phenyl]-3-pyrazolo[1,5-a]pyrimidinyl]quinoline is a member of pyrimidines.

---

1965. PLA

Link: https://3d.nih.gov/entries/3DPX-014616

Description: PLA

---

1966. Andrographolide

Link: https://3d.nih.gov/entries/3DPX-014617

Description: Andrographolide is a labdane diterpenoid isolated from the leaves and roots of Andrographis paniculata that exhibits anti-HIV, anti-inflammatory and antineoplastic properties. It has a role as a me...

---

1967. 7,7,8,8-Tetracyanoquinodimethane

Link: https://3d.nih.gov/entries/3DPX-014619

Description: Tetracyanoquinodimethane is a quinodimethane that is p-quinodimethane in which the methylidene hydrogens are replaced by cyano groups. It is an alicyclic compound, a nitrile and a quinodimethane. I...

---

1968. 2-(1-((pyridine-2-ylmethyl)imino)ethyl)naphtalen-1-ol

Link: https://3d.nih.gov/entries/3DPX-014621

Description: Salem-type ligand

---

1969. Pyrrole-2-carboxaldehyde

Link: https://3d.nih.gov/entries/3DPX-014622

Description: Pyrrole-2-carboxaldehyde is a pyrrole carrying a formyl substituent at the 2-position. It is a member of pyrroles and a 1,3-thiazole-2-carbaldehyde.

---

1970. 1-Phenylethyl acetate

Link: https://3d.nih.gov/entries/3DPX-014640

Description: 1-Phenylethyl acetate is a carboxylic ester. It is functionally related to a benzyl alcohol.

---

1971. Remdesivir

Link: https://3d.nih.gov/entries/3DPX-014641

Description: Remdesivir is antiviral drug potentially effective for COVID-19 treatement.

---

1972. (s)-1-Phenylethyl acetate

Link: https://3d.nih.gov/entries/3DPX-014642

Description: No description available

---

1973. (R)-1-Phenylethyl acetate

Link: https://3d.nih.gov/entries/3DPX-014643

Description: No description available

---

1974. Canagliflozin

Link: https://3d.nih.gov/entries/3DPX-014645

Description: Canagliflozin is a C-glycosyl compound that is used (in its hemihydrate form) for treatment of type II diabetes via inhibition of sodium-glucose transport protein subtype 2. It has a role as a hypo...

---

1975. 5-Formylcytosine

Link: https://3d.nih.gov/entries/3DPX-014649

Description: 5-formylcytosine is a nucleobase analogue that is cytosine in which the hydrogen at position 5 is replaced by a formyl group. It has a role as a metabolite. It is an aminopyrimidine, a pyrimidone, ...

---

1976. Carbon-13C dioxide

Link: https://3d.nih.gov/entries/3DPX-014651

Description: ((13)C)carbon dioxide is a (13)C-modified compound that is carbon dioxide in which the carbon is present as its (13)C isotope. It has a role as a diagnostic agent. It is a (13)C-modified compound, ...

---

1977. 3-(1-Methylpyrrolidin-2-yl)pyridine

Link: https://3d.nih.gov/entries/3DPX-001468

Description: 3-(1-methylpyrrolidin-2-yl)pyridine is an N-alkylpyrrolidine that consists of N-methylpyrrolidine bearing a pyridin-3-yl substituent at position 2. It is a N-alkylpyrrolidine, a pyridine alkaloid a...

---

1978. Hydromorphone

Link: https://3d.nih.gov/entries/3DPX-014698

Description: 3D Model of Hydromorphone PubChem CID: 5284570

---

1979. L-ornithine

Link: https://3d.nih.gov/entries/3DPX-001470

Description: L-ornithine is an optically active form of ornithine having L-configuration. It has a role as a hepatoprotective agent, an algal metabolite and a mouse metabolite. It is an ornithine and a non-prot...

---

1980. Tosyl cyanide

Link: https://3d.nih.gov/entries/3DPX-001471

Description: No description available

---

1981. Ethylene glycol dimethacrylate

Link: https://3d.nih.gov/entries/3DPX-014714

Description: Ethylene glycol dimethacrylate is the enoate ester that is the 1,2-bis(methacryloyl) derivative of ethylene glycol. It has a role as a cross-linking reagent, a polymerisation monomer and an allerge...

---

1982. Bilastine

Link: https://3d.nih.gov/entries/3DPX-014716

Description: Bilastine is a member of benzimidazoles.

---

1983. Urea

Link: https://3d.nih.gov/entries/3DPX-001472

Description: Urea is a carbonyl group with two C-bound amine groups. The commercially available fertilizer has an analysis of 46-0-0 (N-P2O5-K2O). It has a role as a flour treatment agent, a human metabolite, a...

---

1984. Neopentane

Link: https://3d.nih.gov/entries/3DPX-014729

Description: Neopentane is an alkane.

---

1985. Dimethyl ether

Link: https://3d.nih.gov/entries/3DPX-014730

Description: Dimethyl ether is a colorless gas with a faint ethereal odor. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapor...

---

1986. Folding DNA model

Link: https://3d.nih.gov/entries/3DPX-001475

Description: This is a modular DNA model designed so you can make it as long as you like. The flexible DNA can be separated into single strands to help illustrate base pairing. (originally on thing...

---

1987. C416 peptide

Link: https://3d.nih.gov/entries/3DPX-014774

Description: C416 lignin biding pepitide extacted from Phage4

---

1988. Dinoflagellate luciferin

Link: https://3d.nih.gov/entries/3DPX-014788

Description: Dinoflagellate luciferin is a member of the class of bilenes that is 1,2,3,21-tetrahydro-5,7-ethanobilene-a-19(16H),5(2)-dione which is substituted at positions 2, 8, 13 and 18 by methyl groups and...

---

1989. Cynaropicrin

Link: https://3d.nih.gov/entries/3DPX-014795

Description: Cynaropicrin is a sesquiterpene lactone.

---

1990. Raffinose

Link: https://3d.nih.gov/entries/3DPX-014801

Description: Raffinose is a trisaccharide composed of alpha-D-galactopyranose, alpha-D-glucopyranose and beta-D-fructofuranose joined in sequence by 1->6 and 12 glycosidic linkages, respectively. It has a role ...

---

1991. 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide

Link: https://3d.nih.gov/entries/3DPX-014807

Description: No description available

---

1992. PsQ

Link: https://3d.nih.gov/entries/3DPX-014828

Description: PsQ from Lignin

---

1993. PsQdcn

Link: https://3d.nih.gov/entries/3DPX-014831

Description: PsQdcn from lignin

---

1994. cubane

Link: https://3d.nih.gov/entries/3DPX-014852

Description: Cubane

---

1995. fentanyl

Link: https://3d.nih.gov/entries/3DPX-014853

Description: fentanyl

---

1996. testosterone

Link: https://3d.nih.gov/entries/3DPX-014854

Description: testosterone

---

1997. vitaminc

Link: https://3d.nih.gov/entries/3DPX-014855

Description: vitaminc

---

1998. vitamine

Link: https://3d.nih.gov/entries/3DPX-014856

Description: vitamine

---

1999. ZnO-NW

Link: https://3d.nih.gov/entries/3DPX-014864

Description: ZnO-NW

---

2000. Physostigmine

Link: https://3d.nih.gov/entries/3DPX-014866

Description: Physostigmine is a carbamate ester and an indole alkaloid. It has a role as a miotic, an EC 3.1.1.8 (cholinesterase) inhibitor and an antidote to curare poisoning.

---

2001. Leucettamine B

Link: https://3d.nih.gov/entries/3DPX-014869

Description: dfsfdsf

---

2002. Leucettine L41

Link: https://3d.nih.gov/entries/3DPX-014870

Description: Leucettine L41

---

2003. Naproxen

Link: https://3d.nih.gov/entries/3DPX-014871

Description: NAPROXEN 22204-53-1

---

2004. Cinchonin

Link: https://3d.nih.gov/entries/3DPX-014876

Description: Chinchonin

---

2005. Topiroxostat

Link: https://3d.nih.gov/entries/3DPX-014877

Description: Topiroxostat is a selective xanthine oxidase inhibitor developed for treatment and management of hyperuricemia and gout. Xanthine oxidase, or xanthine oxidoreductase (XOR), regulates purine metabol...

---

2006. Dotinurad

Link: https://3d.nih.gov/entries/3DPX-014878

Description: No description available

---

2007. Febuxostat

Link: https://3d.nih.gov/entries/3DPX-014879

Description: Febuxostat is a 1,3-thiazolemonocarboxylic acid that is 4-methyl-1,3-thiazole-5-carboxylic acid which is substituted by a 3-cyano-4-(2-methylpropoxy)phenyl group at position 2. It is an orally-acti...

---

2008. Loratadine

Link: https://3d.nih.gov/entries/3DPX-014880

Description: Loratadine is a benzocycloheptapyridine that is 6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine substituted by a chloro group at position 8 and a 1-(ethoxycarbonyl)piperidin-4-ylidene group at ...

---

2009. Fexofenadine

Link: https://3d.nih.gov/entries/3DPX-014882

Description: Fexofenadine is a piperidine-based anti-histamine compound. It has a role as a H1-receptor antagonist and an anti-allergic agent. It is a member of piperidines and a tertiary amine. It is functiona...

---

2010. Cellulose_c5

Link: https://3d.nih.gov/entries/3DPX-014889

Description: cellulose c axixs 5 folds

---

2011. Creatine

Link: https://3d.nih.gov/entries/3DPX-001489

Description: Creatine is a glycine derivative having methyl and amidino groups attached to the nitrogen. It has a role as a neuroprotective agent, a nutraceutical, a human metabolite, a mouse metabolite and a g...

---

2012. cellulose-225-cut

Link: https://3d.nih.gov/entries/3DPX-014899

Description: cellulose-225-cut

---

2013. cellulose-4

Link: https://3d.nih.gov/entries/3DPX-014900

Description: Cellulose-4

---

2014. test2

Link: https://3d.nih.gov/entries/3DPX-014903

Description: test upload

---

2015. Fenoprofen

Link: https://3d.nih.gov/entries/3DPX-014907

Description: Fenoprofen is a monocarboxylic acid that is propanoic acid in which one of the hydrogens at position 2 is substituted by a 3-phenoxyphenyl group. A non-steroidal anti-inflammatory drug, the dihydra...

---

2016. N-(4-chlorophenyl)-N'-[2-(4-morpholinyl)ethyl]urea

Link: https://3d.nih.gov/entries/3DPX-014908

Description: No description available

---

2017. Pheophorbin a5 (dipotassium salt)

Link: https://3d.nih.gov/entries/3DPX-014909

Description: No description available

---

2018. 1-Vinylimidazole

Link: https://3d.nih.gov/entries/3DPX-014910

Description: No description available

---

2019. 1-Hexyl-3-vinyl-1H-imidazole-3-ium

Link: https://3d.nih.gov/entries/3DPX-014911

Description: No description available

---

2020. Ozenoxacin

Link: https://3d.nih.gov/entries/3DPX-014912

Description: Ozenoxacin is a member of quinolines.

---

2021. Cellulose4-HB

Link: https://3d.nih.gov/entries/3DPX-014914

Description: Cellulose4-HB

---

2022. cellulose4

Link: https://3d.nih.gov/entries/3DPX-014919

Description: Cellulose HB module

---

2023. Cellulose4 HB model

Link: https://3d.nih.gov/entries/3DPX-014923

Description: Cellulose4 HB model

---

2024. cellulose 4-2 sheet

Link: https://3d.nih.gov/entries/3DPX-014924

Description: cellulose

---

2025. cellulose 4-2 sheet

Link: https://3d.nih.gov/entries/3DPX-014925

Description: cellulose 4-2 sheet

---

2026. cellulose 4-1 chain

Link: https://3d.nih.gov/entries/3DPX-014927

Description: cellulose 4-1 chain

---

2027. cellulose42-sheet3

Link: https://3d.nih.gov/entries/3DPX-014928

Description: cellulose42-sheet3

---

2028. Fenarimol

Link: https://3d.nih.gov/entries/3DPX-014935

Description: (2-chlorophenyl)(4-chlorophenyl)pyrimidin-5-ylmethanol is a member of the class of pyrimidines that is pyrimidin-5-ylmethanol in which one of the hydrogens attached to the carbon bearing the hydrox...

---

2029. cellulose 4

Link: https://3d.nih.gov/entries/3DPX-014938

Description: cellulose

---

2030. Tubocurarine

Link: https://3d.nih.gov/entries/3DPX-014942

Description: Tubocurarine is a benzylisoquinoline alkaloid muscle relaxant which constitutes the active component of curare. It has a role as a nicotinic antagonist, a muscle relaxant and a drug allergen. It de...

---

2031. Arbidol

Link: https://3d.nih.gov/entries/3DPX-014943

Description: Umifenovir is an indolyl carboxylic acid.

---

2032. 1,1,2-Trichloro-1,2,2-trifluoroethane

Link: https://3d.nih.gov/entries/3DPX-014946

Description: 1,1,2-trichloro-1,2,2-trifluoroethane is a colorless liquid with a sweet, ether-like odor. Sinks in water. (USCG, 1999)

---

2033. 2-AG

Link: https://3d.nih.gov/entries/3DPX-014969

Description: Cb2 receptor agonist in the endocannabinoid system

---

2034. phenanthrene

Link: https://3d.nih.gov/entries/3DPX-014971

Description: 3D model for phenanthrene

---

2035. Dichlorodifluoromethane

Link: https://3d.nih.gov/entries/3DPX-014975

Description: Dichlorodifluoromethane appears as a colorless gas having a faint ethereal odor. Shipped as a liquid confined under its own vapor pressure. Contact with the unconfined liquid can cause frostbite. B...

---

2036. Z-RNA from PDB 1T4X

Link: https://3d.nih.gov/entries/3DPX-014979

Description: NMR structure of left handed Z-RNA in small-molecule representations.

---

2037. methane

Link: https://3d.nih.gov/entries/3DPX-014982

Description: 3D model for methane

---

2038. ethane (staggered)

Link: https://3d.nih.gov/entries/3DPX-014983

Description: 3D model for ethane staggered conformation

---

2039. ethane (eclipsed)

Link: https://3d.nih.gov/entries/3DPX-014985

Description: 3D model for ethane eclipsed conformation

---

2040. (S)-pydiflumetofen

Link: https://3d.nih.gov/entries/3DPX-014987

Description: (S)-pydiflumetofen is 3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide that is the (S)-enantiomer of pydiflumetofen. It is an enantiomer of a (R)...

---

2041. 2-(Pyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

Link: https://3d.nih.gov/entries/3DPX-014990

Description: No description available

---

2042. Talazoparib

Link: https://3d.nih.gov/entries/3DPX-015007

Description: Talazoparib was approved by the FDA for use in germline BRCA mutated, HER2 negative, locally advanced or metastatic breast cancer on October 16, 2018 under the trade name Talzenna. Talzenna was gra...

---

2043. Lorlatinib

Link: https://3d.nih.gov/entries/3DPX-015008

Description: Lorlatinib is a cyclic ether that is 16,17-dihydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]benzoxadiazacyclotetradecin-15(10H)-one substituted by methyl groups at positions 2 and 10R, and by cyano, ...

---

2044. Latanoprost

Link: https://3d.nih.gov/entries/3DPX-015009

Description: Latanoprost is a prostaglandin Falpha that is the isopropyl ester prodrug of latanoprost free acid. Used in the treatment of open-angle glaucoma and ocular hypertension. It has a role as an antigla...

---

2045. Irinotecan

Link: https://3d.nih.gov/entries/3DPX-015010

Description: Irinotecan is a semisynthetic derivative of camptothecin, a cytotoxic, quinoline-based alkaloid extracted from the Asian tree Camptotheca acuminata. Irinotecan, a prodrug, is converted to...

---

2046. Cabergoline

Link: https://3d.nih.gov/entries/3DPX-015011

Description: Cabergoline is an N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached t...

---

2047. Ranitidine

Link: https://3d.nih.gov/entries/3DPX-015014

Description: Ranitidine is a member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease. It has a role as an anti-ulcer drug, a H2-receptor antagonist, an environ...

---

2048. Kahweol

Link: https://3d.nih.gov/entries/3DPX-015015

Description: Kahweol is a diterpenoid with formula C20H26O3, isolated from the beans of Coffea arabica. It exhibits antioxidant, anti-inflammatory, anti-angiogenesis and anti-proliferative properties. It has a ...

---

2049. Carvone

Link: https://3d.nih.gov/entries/3DPX-015016

Description: Carvone is a p-menthane monoterpenoid that consists of cyclohex-2-enone having methyl and isopropenyl substituents at positions 2 and 5, respectively. It has a role as an allergen. It is a member o...

---

2050. 1-Bromo-1-chloroethane

Link: https://3d.nih.gov/entries/3DPX-015039

Description: No description available

---

2051. N-[4-(trifluoromethoxy)phenyl]-7-[3-(trifluoromethyl)pyridin-2-yl]quinazolin-4-amine

Link: https://3d.nih.gov/entries/3DPX-015047

Description: No description available

---

2052. 4-[(2,4-Dichloro-3-methyl-6-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-015052

Description: No description available

---

2053. 1,3,4,6,7-Pentachlorodibenzofuran

Link: https://3d.nih.gov/entries/3DPX-015059

Description: No description available

---

2054. Tetrakis(3,4,4,5-tetramethyl-2,5-cyclohexadien-1-ylidene)cyclobutane

Link: https://3d.nih.gov/entries/3DPX-015063

Description: No description available

---

2055. [[(2R,3S,4R,5R)-5-(3-carbamoyl-5-fluoro-2-oxopyrazin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-015082

Description: Favipiravir-RTP is a nuceloside analogue in which the nucleobase is favipiravir. It is a RNA-dependent RNA polymerase inhibitor which exhibits anti-influenza and anti-coronaviral activities. It has...

---

2056. 5,7-Dihydroxy-8-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]-2-methylchromen-4-one

Link: https://3d.nih.gov/entries/3DPX-015084

Description: Rohitukine is a member of the class of chromones that is 4H-chromen-4-one in which the hydrogens at positions 2,5,7 and 8 are replaced by methyl, hydroxy, hydroxy, and (3S,4R)-3-hydroxy-1-methylpip...

---

2057. DIBENZO(b,def)CHRYSENE-1,2-DIOL, 1,2-DIHYDRO-, E-

Link: https://3d.nih.gov/entries/3DPX-015102

Description: No description available

---

2058. Acetone-d6

Link: https://3d.nih.gov/entries/3DPX-015103

Description: Acetone d6 is a deuterated compound that is acetone in which all six hydrogen atoms are replaced by deuterium. It has a role as a polar aprotic solvent. It is a deuterated compound and a member of ...

---

2059. Reserpine

Link: https://3d.nih.gov/entries/3DPX-015106

Description: A molecule of Reserpine

---

2060. Phlorizin

Link: https://3d.nih.gov/entries/3DPX-015108

Description: Phlorizin https://pubchem.ncbi.nlm.nih.gov/compound/Phlorizin

---

2061. Ac-CAA Anion

Link: https://3d.nih.gov/entries/3DPX-015111

Description: Ac-CAA-NH2 anion gas phase stucture

---

2062. Sucrase

Link: https://3d.nih.gov/entries/3DPX-015122

Description: idk

---

2063. D-Xylose

Link: https://3d.nih.gov/entries/3DPX-015127

Description: D-xylopyranose is d-Xylose in its pyranose form.

---

2064. Xylitol

Link: https://3d.nih.gov/entries/3DPX-015128

Description: Xylitol is a pentitol (five-carbon sugar alcohol) having meso-configuration, being derived from xylose by reduction of the carbonyl group. It has a role as a sweetening agent, an allergen, a hapten...

---

2065. 3-O-Methyl-L-xylose

Link: https://3d.nih.gov/entries/3DPX-015129

Description: 3-o-methyl-l-xylose is a pentose.

---

2066. Griseorhodin A

Link: https://3d.nih.gov/entries/3DPX-015130

Description: Griseorhodin A is a member of chromenes.

---

2067. Benzoic acid, 2-hydroxy-3,6-dimethyl, DTBS

Link: https://3d.nih.gov/entries/3DPX-015131

Description: No description available

---

2068. Griseorhodin A

Link: https://3d.nih.gov/entries/3DPX-015132

Description: Griseorhodin A is a member of chromenes.

---

2069. (1S,14R)-1,3,14,15,26-pentahydroxy-21-methoxy-7-methyl-6-oxahexacyclo[12.12.0.02,11.04,9.016,25.018,23]hexacosa-2(11),3,7,9,15,18(23),20,25-octaene-5,17,19,22,24-pentone

Link: https://3d.nih.gov/entries/3DPX-015139

Description: No description available

---

2070. 3-Hydroxypropionic acid

Link: https://3d.nih.gov/entries/3DPX-015140

Description: 3-hydroxypropionic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens attached to the terminal carbon is replaced by a hydroxy group. It has a role as an E...

---

2071. dimethylfumarateLACTONE-DCF

Link: https://3d.nih.gov/entries/3DPX-015145

Description: x ray crystal structure of small molecule synthesized via photochemical C-H activation

---

2072. Propionamide, N-(1-adamantyl)-3-chloro-

Link: https://3d.nih.gov/entries/3DPX-015168

Description: No description available

---

2073. Biphenyl

Link: https://3d.nih.gov/entries/3DPX-015170

Description: Biphenyl is a benzenoid aromatic compound that consists of two benzene rings connected by a single covalent bond. Biphenyl occurs naturally in coal tar, crude oil, and natural gas. Formerly used as...

---

2074. 1-Phenyl-3,4-dihydropyridin-1-ium

Link: https://3d.nih.gov/entries/3DPX-015172

Description: No description available

---

2075. N-phenyl oxazine

Link: https://3d.nih.gov/entries/3DPX-015173

Description: No description available

---

2076. 2-Phenylpyrylium

Link: https://3d.nih.gov/entries/3DPX-015174

Description: No description available

---

2077. (S)-adrenaline

Link: https://3d.nih.gov/entries/3DPX-015182

Description: (S)-adrenaline is the S-enantiomer of adrenaline. It is an enantiomer of a (R)-adrenaline.

---

2078. L-xylulose

Link: https://3d.nih.gov/entries/3DPX-015198

Description: L-xylulose is a xylulose. It has a role as a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is an enantiomer of a D-xylulose.

---

2079. (2R)-2-amino-3,3-dihydroxypropanoic acid

Link: https://3d.nih.gov/entries/3DPX-015211

Description: No description available

---

2080. Bromochlorofluoromethane

Link: https://3d.nih.gov/entries/3DPX-015212

Description: No description available

---

2081. (S)-Epichlorohydrin

Link: https://3d.nih.gov/entries/3DPX-015213

Description: (S)-epichlorohydrin is an epichlorohydrin. It is functionally related to a (R)-1,2-epoxypropane. It is an enantiomer of a (R)-epichlorohydrin.

---

2082. Tropic acid

Link: https://3d.nih.gov/entries/3DPX-015214

Description: Tropic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by...

---

2083. Ectocarpene

Link: https://3d.nih.gov/entries/3DPX-015215

Description: Ectocarpen is a cyclic olefin.

---

2084. Equol

Link: https://3d.nih.gov/entries/3DPX-015216

Description: Equol is a member of hydroxyisoflavans.

---

2085. (R)-3-Methylheptane

Link: https://3d.nih.gov/entries/3DPX-015217

Description: No description available

---

2086. 1-Cyanoallyl acetate

Link: https://3d.nih.gov/entries/3DPX-015218

Description: No description available

---

2087. 3,3,3-Trifluoro-2-hydroxy-2-methylpropanenitrile

Link: https://3d.nih.gov/entries/3DPX-015219

Description: No description available

---

2088. 1-Chloroethyl chloroformate

Link: https://3d.nih.gov/entries/3DPX-015220

Description: No description available

---

2089. 2-Amino-2-phenylacetic acid

Link: https://3d.nih.gov/entries/3DPX-015221

Description: Alpha-phenylglycine is an amino acid with a structure in which a phenyl ring is bonded to the alpha-carbon of glycine. It has a role as a human metabolite.

---

2090. Nitrilotriacetic acid

Link: https://3d.nih.gov/entries/3DPX-015229

Description: Nitrilotriacetic acid is an odorless white solid. Sinks in and mixes with water. (USCG, 1999)

---

2091. 4-(Chloromethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine

Link: https://3d.nih.gov/entries/3DPX-015233

Description: No description available

---

2092. 2-Isopropoxypropanoic acid

Link: https://3d.nih.gov/entries/3DPX-015251

Description: No description available

---

2093. (S)-3-Hydroxybutyric acid

Link: https://3d.nih.gov/entries/3DPX-015252

Description: (S)-3-hydroxybutyric acid is the S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression. It is a conjugate ac...

---

2094. (R)-butane-1,2-diol

Link: https://3d.nih.gov/entries/3DPX-015254

Description: (R)-butane-1,2-diol is a butane-1,2-diol of R-configuration. It is an enantiomer of a (S)-butane-1,2-diol.

---

2095. 2-Methoxypentane

Link: https://3d.nih.gov/entries/3DPX-015258

Description: No description available

---

2096. 6-Chloro-4-oxo-10-propylpyrano[3,2-g]quinoline-2-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-015262

Description: No description available

---

2097. Isoamyl acetate

Link: https://3d.nih.gov/entries/3DPX-015268

Description: Isoamyl acetate is the acetate ester of isoamylol. It has a role as a metabolite and a Saccharomyces cerevisiae metabolite. It is functionally related to an isoamylol.

---

2098. Sorbic acid

Link: https://3d.nih.gov/entries/3DPX-015269

Description: Sorbic acid is a hexadienoic acid with double bonds at C-2 and C-4; it has four geometrical isomers, of which the trans,trans-form is naturally occurring. It is a hexadienoic acid, a polyunsaturate...

---

2099. Bis(3-propan-2-ylphenyl) carbonate

Link: https://3d.nih.gov/entries/3DPX-015270

Description: No description available

---

2100. Tropic acid

Link: https://3d.nih.gov/entries/3DPX-015271

Description: Tropic acid is a 3-hydroxy monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a phenyl group, and one of the methyl hydrogens is substituted by...

---

2101. Propane, 2,2-bis(ethenylsulfonyl)-

Link: https://3d.nih.gov/entries/3DPX-015272

Description: No description available

---

2102. (2R)-4-methylpentan-2-amine

Link: https://3d.nih.gov/entries/3DPX-015279

Description: No description available

---

2103. D-alanine

Link: https://3d.nih.gov/entries/3DPX-015280

Description: D-alanine is the D-enantiomer of alanine. It has a role as a human metabolite, an EC 4.3.1.15 (diaminopropionate ammonia-lyase) inhibitor and an Escherichia coli metabolite. It is a D-alpha-amino a...

---

2104. (S)-1,2-Butanediol

Link: https://3d.nih.gov/entries/3DPX-015281

Description: (S)-butane-1,2-diol is a butane-1,2-diol of S-configuration. It is an enantiomer of a (R)-butane-1,2-diol.

---

2105. (S)-(+)-2-Phenylpropionic acid

Link: https://3d.nih.gov/entries/3DPX-015282

Description: (S)-hydratropic acid is a hydratropic acid. It is an enantiomer of a (R)-hydratropic acid.

---

2106. (R)-(+)-1-Phenylpropylamine

Link: https://3d.nih.gov/entries/3DPX-015283

Description: No description available

---

2107. (S)-2-Phenylbutan-1-amine

Link: https://3d.nih.gov/entries/3DPX-015284

Description: No description available

---

2108. (R)-3-Aminobutanoic Acid

Link: https://3d.nih.gov/entries/3DPX-015285

Description: No description available

---

2109. D-(-)-alpha-Phenylglycine

Link: https://3d.nih.gov/entries/3DPX-015286

Description: D-alpha-phenylglycine is the R stereoisomer of alpha-phenylglycine. It is an enantiomer of a L-alpha-phenylglycine. It is a tautomer of a D-alpha-phenylglycine zwitterion.

---

2110. 1,3,3-Trimethoxypropene

Link: https://3d.nih.gov/entries/3DPX-015287

Description: No description available

---

2111. F1

Link: https://3d.nih.gov/entries/3DPX-015289

Description: F1

---

2112. testtest

Link: https://3d.nih.gov/entries/3DPX-015301

Description: big test

---

2113. 3-Aminopropyltriethoxysilane

Link: https://3d.nih.gov/entries/3DPX-015303

Description: No description available

---

2114. Coelenteramide

Link: https://3d.nih.gov/entries/3DPX-015313

Description: Oxidized Oplophorus luciferin is a member of pyrazines. It has a role as a member of oxidized luciferins. It is functionally related to an Oplophorus luciferin.

---

2115. Myrcene

Link: https://3d.nih.gov/entries/3DPX-015317

Description: Beta-myrcene is a monoterpene that is octa-1,6-diene bearing methylene and methyl substituents at positions 3 and 7 respectively. It has a role as a plant metabolite, an anti-inflammatory agent, an...

---

2116. Caryophyllene

Link: https://3d.nih.gov/entries/3DPX-015318

Description: (-)-beta-caryophyllene is a beta-caryophyllene in which the stereocentre adjacent to the exocyclic double bond has S configuration while the remaining stereocentre has R configuration. It is the mo...

---

2117. Terpinolene

Link: https://3d.nih.gov/entries/3DPX-015319

Description: Terpinolene is a p-menthadiene with double bonds at positions 1 and 4(8). It has a role as a sedative, an insect repellent, a plant metabolite and a volatile oil component.

---

2118. beta-Ocimene

Link: https://3d.nih.gov/entries/3DPX-015320

Description: (E)-beta-ocimene is a beta-ocimene that consists of octa-1,3,6-triene bearing two methyl substituents at positions 3 and 7 (the 3E-isomer). It has a role as a plant metabolite.

---

2119. Nerolidol

Link: https://3d.nih.gov/entries/3DPX-015321

Description: Nerolidol is a farnesane sesquiterpenoid that is dodeca-1,6,10-triene which carries methyl groups at positions 3, 7 and 11 and a hydroxy group at position 3. It is a natural product that is present...

---

2120. Bisabolol

Link: https://3d.nih.gov/entries/3DPX-015322

Description: (+)-alpha-Bisabolol is a sesquiterpenoid.

---

2121. Guaiol

Link: https://3d.nih.gov/entries/3DPX-015323

Description: Guaiol is a guaiane sesquiterpenoid.

---

2122. PFTA

Link: https://3d.nih.gov/entries/3DPX-015324

Description: adsa

---

2123. PFTA+

Link: https://3d.nih.gov/entries/3DPX-015325

Description: pfta

---

2124. Acetylcysteine

Link: https://3d.nih.gov/entries/3DPX-015326

Description: N-acetyl-L-cysteine is an N-acetyl-L-amino acid that is the N-acetylated derivative of the natural amino acid L-cysteine. It has a role as an antiinfective agent, an antioxidant, an antiviral drug,...

---

2125. [[(E)-1-[(5S)-1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-enyl]amino]urea

Link: https://3d.nih.gov/entries/3DPX-015332

Description: No description available

---

2126. 2-Ethoxypropanoic acid

Link: https://3d.nih.gov/entries/3DPX-015335

Description: No description available

---

2127. 1(2H)-Isoquinolinone, 5,8-dichloro-2-((1,2-dihydro-4-methoxy-6-methyl-2-oxo-3-pyridinyl)methyl)-3,4-dihydro-7-((R)-methoxy-3-oxetanylmethyl)-

Link: https://3d.nih.gov/entries/3DPX-015338

Description: PF-06821497 is under investigation in clinical trial NCT03460977 (PF-06821497 Treatment Of Relapsed/Refractory SCLC, Castration Resistant Prostate Cancer, and Follicular Lymphoma).

---

2128. 11-Nor-9-carboxy-delta-9-tetrahydrocannabinol

Link: https://3d.nih.gov/entries/3DPX-015342

Description: 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol is a phytocannabinoid that is Delta(9)-tetrahydrocannabinol in which the C-11 methyl has been fully oxidised to a carboxy group. Further enzymatic oxi...

---

2129. (+)Cocaine

Link: https://3d.nih.gov/entries/3DPX-015349

Description: No description available

---

2130. Fraxetin

Link: https://3d.nih.gov/entries/3DPX-015354

Description: Fraxetin is a hydroxycoumarin that is 6-methoxycoumarin in which the hydrogens at positions 7 and 8 have been replaced by hydroxy groups. It has a role as an Arabidopsis thaliana metabolite, an ant...

---

2131. Maltose

Link: https://3d.nih.gov/entries/3DPX-015373

Description: Beta-maltose is a maltose that has beta-configuration at the reducing end anomeric centre. It has a role as a geroprotector.

---

2132. Benzenemethanediamine

Link: https://3d.nih.gov/entries/3DPX-015379

Description: No description available

---

2133. Methyl(2-methyl-1-phenylpropyl)amine

Link: https://3d.nih.gov/entries/3DPX-015380

Description: No description available

---

2134. 3-Methoxyhexane

Link: https://3d.nih.gov/entries/3DPX-015381

Description: No description available

---

2135. Thiophene, 2,5-bis(1,1-dimethylethoxy)-

Link: https://3d.nih.gov/entries/3DPX-015394

Description: No description available

---

2136. ethyl N-[4-cyano-5-(cyanomethyl)-2-phenylpyrazol-3-yl]methanimidate

Link: https://3d.nih.gov/entries/3DPX-015395

Description: No description available

---

2137. alpha-Maltotriose

Link: https://3d.nih.gov/entries/3DPX-015396

Description: Alpha-maltotriose is a maltotriose trisaccharide in which the glucose residue at the reducing end is in the pyranose ring form and has alpha configuration at the anomeric carbon atom.. It has a rol...

---

2138. 1-[3-(2-Morpholin-4-yl-2-oxoethoxy)phenyl]ethanone

Link: https://3d.nih.gov/entries/3DPX-015397

Description: No description available

---

2139. 2-(Butylamino)-3-phenylpropanoic acid

Link: https://3d.nih.gov/entries/3DPX-015398

Description: No description available

---

2140. m-Xylene

Link: https://3d.nih.gov/entries/3DPX-001540

Description: M-xylene is a xylene carrying methyl groups at positions 1 and 3.

---

2141. water

Link: https://3d.nih.gov/entries/3DPX-015403

Description: water

---

2142. 9-Anthracenecarbonitrile

Link: https://3d.nih.gov/entries/3DPX-015405

Description: No description available

---

2143. (2,4,6-Trimethylphenyl) 2-(diethylamino)acetate

Link: https://3d.nih.gov/entries/3DPX-015407

Description: No description available

---

2144. Nicotine

Link: https://3d.nih.gov/entries/3DPX-015411

Description: nothing special

---

2145. pteca3d

Link: https://3d.nih.gov/entries/3DPX-015416

Description: pteca

---

2146. 3-Bromo-2-pyridin-2-ylimidazo[1,2-a]pyridine

Link: https://3d.nih.gov/entries/3DPX-015417

Description: No description available

---

2147. Monocrotaline

Link: https://3d.nih.gov/entries/3DPX-001543

Description: Monocrotaline is a pyrrolizidine alkaloid.

---

2148. Astaxanthin

Link: https://3d.nih.gov/entries/3DPX-015435

Description: Astaxanthin is a carotenone that consists of beta,beta-carotene-4,4'-dione bearing two hydroxy substituents at positions 3 and 3' (the 3S,3'S diastereomer). A carotenoid pigment found mainly in ani...

---

2149. 1-Morpholin-4-yl-2-(2H-tetrazol-5-yl)-ethanone

Link: https://3d.nih.gov/entries/3DPX-015451

Description: No description available

---

2150. Lucidin

Link: https://3d.nih.gov/entries/3DPX-015459

Description: Lucidin is a dihydroxyanthraquinone.

---

2151. (2S)-2-[[2-(6-benzyl-5-ethyl-4-oxamoylthieno[2,3-b]pyrrol-3-yl)oxyacetyl]amino]-3-methylbutanoic acid

Link: https://3d.nih.gov/entries/3DPX-015460

Description: No description available

---

2152. Tepotinib

Link: https://3d.nih.gov/entries/3DPX-015464

Description: Tepotinib is under investigation in clinical trial NCT03531762 (Effect of a Proton Pump Inhibitor on the Pharmacokinetics (PK) of Tepotinib).

---

2153. Glycyl-prolyl-arginyl-proline

Link: https://3d.nih.gov/entries/3DPX-015468

Description: No description available

---

2154. Lipids

Link: https://3d.nih.gov/entries/3DPX-015477

Description: DMPC

---

2155. 2-(4-Amino-N-ethyl-m-toluidino)ethanol

Link: https://3d.nih.gov/entries/3DPX-015479

Description: No description available

---

2156. 1,3-Benzenedicarboxamide, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-

Link: https://3d.nih.gov/entries/3DPX-015483

Description: No description available

---

2157. 7-Oxa-3,20-diazadispiro[5.1.11.2]heneicosan-21-one, 2,2,4,4-tetramethyl-

Link: https://3d.nih.gov/entries/3DPX-015484

Description: No description available

---

2158. Calix[4]arene

Link: https://3d.nih.gov/entries/3DPX-015486

Description: No description available

---

2159. (1,1-Dicarboxy-4-methylpentyl)azanide

Link: https://3d.nih.gov/entries/3DPX-015487

Description: No description available

---

2160. Vik Molecule

Link: https://3d.nih.gov/entries/3DPX-015489

Description: kdlkjlkj

---

2161. Cyclohexene

Link: https://3d.nih.gov/entries/3DPX-015495

Description: Cyclohexene is a cycloalkene that is cylohexane with a single double bond.

---

2162. Ammonium Persulfate

Link: https://3d.nih.gov/entries/3DPX-015521

Description: ammonium persulfate oxidant

---

2163. Paracétamol

Link: https://3d.nih.gov/entries/3DPX-015523

Description: paracetamol model designed from 5pbe.pdb in Van der Waals sphere

---

2164. Aspirin

Link: https://3d.nih.gov/entries/3DPX-015524

Description: Aspirin modeled from 6mqf.pdb in Van der Waals sphere

---

2165. AMLIRL dna

Link: https://3d.nih.gov/entries/3DPX-015545

Description: small dna structure

---

2166. trans-1,2-Bis(4-pyridyl)ethene

Link: https://3d.nih.gov/entries/3DPX-015551

Description: No description available

---

2167. Procaine

Link: https://3d.nih.gov/entries/3DPX-015559

Description: Procaine is a benzoate ester, formally the result of esterification of 4-aminobenzoic acid with 2-diethylaminoethanol but formed experimentally by reaction of ethyl 4-aminobenzoate with 2-diethylam...

---

2168. 2-Bromobutane

Link: https://3d.nih.gov/entries/3DPX-001556

Description: No description available

---

2169. N-Phenylpropanamide

Link: https://3d.nih.gov/entries/3DPX-015560

Description: No description available

---

2170. Piperdine

Link: https://3d.nih.gov/entries/3DPX-015561

Description: Piperdine model

---

2171. Enterobactin

Link: https://3d.nih.gov/entries/3DPX-015564

Description: Enterobactin is a macrotriolide produced by certain members of Enterobacteriaceae, e.g. Escherichia coli and Salmonella. It has a role as a bacterial metabolite and a siderophore. It is a crown com...

---

2172. NanoKid

Link: https://3d.nih.gov/entries/3DPX-015565

Description: No description available

---

2173. Trimethylamine

Link: https://3d.nih.gov/entries/3DPX-015579

Description: trimethylamine N,N-dimethylmethanamine 75-50-3 Methanamine, N,N-dimethyl- N-Trimethylamine

---

2174. Methanesulfonamide

Link: https://3d.nih.gov/entries/3DPX-015580

Description: No description available

---

2175. CpMgOH

Link: https://3d.nih.gov/entries/3DPX-015582

Description: CpMg(OH)

---

2176. Venlafaxine

Link: https://3d.nih.gov/entries/3DPX-015588

Description: Venlafaxine is a tertiary amino compound that is N,N-dimethylethanamine substituted at position 1 by a 1-hydroxycyclohexyl and 4-methoxyphenyl group. It has a role as an antidepressant, a serotonin...

---

2177. Bisantrene

Link: https://3d.nih.gov/entries/3DPX-015595

Description: Bisantrene is an anthracenyl bishydrazone with antineoplastic activity. Bisantrene intercalates with and disrupts the configuration of DNA, resulting in DNA single-strand breaks, DNA-protein crossl...

---

2178. 2-Hydroxyacetophenone

Link: https://3d.nih.gov/entries/3DPX-015600

Description: 2-hydroxyacetophenone is a monohydroxyacetophenone that is acetophenone in which one of the methyl hydrogens has been replaced by a hydroxy group. It is a primary alcohol, a primary alpha-hydroxy k...

---

2179. 4'-Hydroxyacetophenone

Link: https://3d.nih.gov/entries/3DPX-015601

Description: 4'-hydroxyacetophenone is a monohydroxyacetophenone carrying a hydroxy substituent at position 4'. It has a role as a plant metabolite, a fungal metabolite and a mouse metabolite.

---

2180. Polyvinyl alcohol

Link: https://3d.nih.gov/entries/3DPX-015603

Description: Polyvinyl alcohol appears as odorless white to cream-colored granules or powder. Pure aqueous solutions are neutral or faintly acid and subject to mold growth. pH (4% aqueous solution): 5-8. Strong...

---

2181. (6R)-6-(4-methylsulfanylphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one

Link: https://3d.nih.gov/entries/3DPX-015604

Description: No description available

---

2182. 2,4-Di(pentan-2-yl)cyclohexan-1-ol

Link: https://3d.nih.gov/entries/3DPX-015605

Description: No description available

---

2183. N-Hexylhexanediamide

Link: https://3d.nih.gov/entries/3DPX-015606

Description: No description available

---

2184. NAD Molecule

Link: https://3d.nih.gov/entries/3DPX-015610

Description: This is an NAD+ molecule for my personal printing use.

---

2185. 1-chloro-2-methylpropane

Link: https://3d.nih.gov/entries/3DPX-015612

Description: 1-chloro-2-methylpropane

---

2186. Alpha-D-Galactopyranose

Link: https://3d.nih.gov/entries/3DPX-015615

Description: Alpha-D-galactose is d-Galactopyranose having alpha-configuration at the anomeric centre. It has a role as a mouse metabolite. It is an enantiomer of an alpha-L-galactose.

---

2187. Aspirin

Link: https://3d.nih.gov/entries/3DPX-015616

Description: AIN from 6mqf.pdb

---

2188. paracetamol

Link: https://3d.nih.gov/entries/3DPX-015617

Description: paracetamol from 5pbe.pdb edited with Chimera

---

2189. p-Anisic acid, 4-methoxyphenyl ester

Link: https://3d.nih.gov/entries/3DPX-015626

Description: No description available

---

2190. 3'-Galactosyllactose

Link: https://3d.nih.gov/entries/3DPX-015627

Description: Alpha-D-Gal-(1->3)-beta-D-Gal-(1->4)-D-Glc is a linear trisaccharide comprising D-glucose (at the reducing end) having an alpha-D-galactosyl-(1->3)-beta-D-galactosyl moiety at the 4-position. It ha...

---

2191. blood group A antigen type 3

Link: https://3d.nih.gov/entries/3DPX-015648

Description: Alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-alpha-D-GalpNAc is an alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-beta-D-Galp-(1->3)-D-GalpNAc having alpha-configuration at the red...

---

2192. C.I. Natural red 4

Link: https://3d.nih.gov/entries/3DPX-015653

Description: Coloring matter from the insect Coccus cacti L. It is used in foods, pharmaceuticals, toiletries, etc., as a dye, and also has use as a microscopic stain and biological marker.

---

2193. Gefapixant

Link: https://3d.nih.gov/entries/3DPX-015656

Description: Gefapixant is under investigation in clinical trial NCT02397460 (Effect of Gefapixant (AF-219/MK-7264) on Cough Reflex Sensitivity).

---

2194. Tec-IN-6

Link: https://3d.nih.gov/entries/3DPX-015660

Description: No description available

---

2195. Marizomib

Link: https://3d.nih.gov/entries/3DPX-015662

Description: Molecular Model of Salinosporamide A from PubChem SMILES. Marizomib is a natural product originally isolated from bacteria of the genus Salinispora, discovered by the Fenical and Jensen Labs at SIO...

---

2196. Undergrad

Link: https://3d.nih.gov/entries/3DPX-015684

Description: Draft 1

---

2197. Acetic acid, (acetylthio)-

Link: https://3d.nih.gov/entries/3DPX-015691

Description: No description available

---

2198. Collagen proline hydroxylase inhibitor

Link: https://3d.nih.gov/entries/3DPX-015692

Description: No description available

---

2199. Formamicin 2

Link: https://3d.nih.gov/entries/3DPX-015711

Description: formamcin

---

2200. Benzophenone, 4,4'-bis(dimethylamino)-, oxime

Link: https://3d.nih.gov/entries/3DPX-015724

Description: No description available

---

2201. 2-[2-(2-Chloro-4-ethylphenoxy)phenyl]acetic acid

Link: https://3d.nih.gov/entries/3DPX-015725

Description: No description available

---

2202. Aetokthonotoxin

Link: https://3d.nih.gov/entries/3DPX-015726

Description: A strange polyhalogenated toxin produced by a bacterium

---

2203. Aetokthonotoxin

Link: https://3d.nih.gov/entries/3DPX-015727

Description: Polyhalogenated toxin produced by a cyanobacterium

---

2204. Methyl (14E,16S,19S)-14-ethylidene-6-hydroxy-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3(8),4,6-triene-16-carboxylate

Link: https://3d.nih.gov/entries/3DPX-015728

Description: No description available

---

2205. Retinol

Link: https://3d.nih.gov/entries/3DPX-015739

Description: Retinol 3d file

---

2206. Niacinimade

Link: https://3d.nih.gov/entries/3DPX-015740

Description: Niacinimade 3d model

---

2207. Glycolic Acid

Link: https://3d.nih.gov/entries/3DPX-015741

Description: Glycolic Acid 3d model

---

2208. Hyaluronic Acid

Link: https://3d.nih.gov/entries/3DPX-015742

Description: Hyaluronic Acid 3d model

---

2209. Ceramide-3

Link: https://3d.nih.gov/entries/3DPX-015743

Description: Ceramide-3 3d model

---

2210. 2H-1,5-Benzodioxepin-3(4H)-one, 7-methyl-

Link: https://3d.nih.gov/entries/3DPX-015746

Description: No description available

---

2211. Sandalore

Link: https://3d.nih.gov/entries/3DPX-015747

Description: No description available

---

2212. Gyromitrin

Link: https://3d.nih.gov/entries/3DPX-015754

Description: Gyromitrin is a hydrazone and an aldehyde. It is functionally related to an acetaldehyde hydrazone.

---

2213. Dihydroactinidiolide

Link: https://3d.nih.gov/entries/3DPX-015762

Description: Printable formate of Dihydroactinidiolide. SDF from https://pubchem.ncbi.nlm.nih.gov/compound/Dihydroactinidiolide

---

2214. DB213 (Tetrahydrochloride)

Link: https://3d.nih.gov/entries/3DPX-015780

Description: No description available

---

2215. Metano

Link: https://3d.nih.gov/entries/3DPX-015793

Description: molecola di metano

---

2216. Erinacine A

Link: https://3d.nih.gov/entries/3DPX-015794

Description: Erinacine A is a diterpenoid.

---

2217. 21,23-Didehydrophthalocyanine

Link: https://3d.nih.gov/entries/3DPX-001580

Description: No description available

---

2218. N-[(6R,7R)-3-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-phenylacetamide

Link: https://3d.nih.gov/entries/3DPX-015802

Description: No description available

---

2219. Pyridoclax

Link: https://3d.nih.gov/entries/3DPX-015804

Description: No description available

---

2220. Glycocide-13C2

Link: https://3d.nih.gov/entries/3DPX-015806

Description: No description available

---

2221. 2-[Bis(2-hydroxyethyl)amino]ethyl 2,2-diphenylacetate

Link: https://3d.nih.gov/entries/3DPX-015816

Description: No description available

---

2222. Amantadine

Link: https://3d.nih.gov/entries/3DPX-015818

Description: antiviral cage amine

---

2223. 2-[(2,6-dimethylphenyl)amino]-N,N,N-triethyl-2-oxoethanaminium

Link: https://3d.nih.gov/entries/3DPX-015821

Description: QX-314 is a monocarboxylic acid amide. It has a role as a local anaesthetic.

---

2224. Taurocholic acid

Link: https://3d.nih.gov/entries/3DPX-015825

Description: Taurocholic acid is a bile acid taurine conjugate of cholic acid that usually occurs as the sodium salt of bile in mammals. It has a role as a human metabolite. It is an amino sulfonic acid and a b...

---

2225. 2,4(1H,3H)-Pyrimidinedione, 3-(4-chloro-5-ethoxy-2-fluorophenyl)-1-methyl-6-(trifluoromethyl)-

Link: https://3d.nih.gov/entries/3DPX-015826

Description: No description available

---

2226. Fructose-2,6-diphosphate

Link: https://3d.nih.gov/entries/3DPX-015827

Description: Beta-D-fructofuranose 2,6-bisphosphate is a D-fructofuranose 2,6-bisphosphate with a beta-configuration at the anomeric centre. It has a role as a human metabolite and a mouse metabolite. It is fun...

---

2227. Shikimic acid

Link: https://3d.nih.gov/entries/3DPX-015828

Description: Shikimic acid is a cyclohexenecarboxylic acid that is cyclohex-1-ene-1-carboxylic acid substituted by hydroxy groups at positions 3, 4 and 5 (the 3R,4S,5R stereoisomer). It is an intermediate metab...

---

2228. 2-{[(2,4,6-Trimethylphenyl)sulfonyl]amino}benzamide

Link: https://3d.nih.gov/entries/3DPX-015829

Description: No description available

---

2229. 2'-Deoxyadenosine 5'-triphosphate

Link: https://3d.nih.gov/entries/3DPX-015830

Description: DATP is a purine 2'-deoxyribonucleoside 5'-triphosphate having adenine as the nucleobase. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a purine 2'-deoxyribonucleosi...

---

2230. Acadesine

Link: https://3d.nih.gov/entries/3DPX-015831

Description: Acadesine is a 1-ribosylimidazolecarboxamide in which the carboxamide group is situated at position 4 of the imidazole ring, which is further substituted at position 5 by an amino group. A purine n...

---

2231. 3-Buten-2-one, 4-bicyclo[2.2.1]hept-2-yl-3-methyl-

Link: https://3d.nih.gov/entries/3DPX-015832

Description: No description available

---

2232. Thymidine

Link: https://3d.nih.gov/entries/3DPX-015833

Description: Thymidine is a pyrimidine 2'-deoxyribonucleoside having thymine as the nucleobase. It has a role as a metabolite, a human metabolite, an Escherichia coli metabolite and a mouse metabolite. It is fu...

---

2233. Octanoylcarnitine

Link: https://3d.nih.gov/entries/3DPX-015834

Description: O-octanoylcarnitine is an O-acylcarnitine having octanoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine and an octanoate ester.

---

2234. Succinate

Link: https://3d.nih.gov/entries/3DPX-015835

Description: Succinate(2-) is a dicarboxylic acid dianion resulting from the removal of a proton from both of the carboxy groups of succinic acid. It has a role as a human metabolite and a Saccharomyces cerevis...

---

2235. 2,2,5-Trimethyloxazolidine

Link: https://3d.nih.gov/entries/3DPX-015836

Description: No description available

---

2236. Eter

Link: https://3d.nih.gov/entries/3DPX-015849

Description: Eter

---

2237. Benzene

Link: https://3d.nih.gov/entries/3DPX-015852

Description: More information about the creator in featured magazine. Benzene is also a natural component of crude oil and gasoline.

---

2238. Paracetamol Molecule

Link: https://3d.nih.gov/entries/3DPX-015853

Description: More information about the creator in featured magazine. Mainly used to treat fever and mild and moderate pain Molecular formula: C8H9NO2

---

2239. Cyanidin

Link: https://3d.nih.gov/entries/3DPX-015859

Description: Cyanidin cation is an anthocyanidin cation that is flavylium substituted at positions 3, 3', 4', 5 and 7 by hydroxy groups. It has a role as a metabolite, a neuroprotective agent and an antioxidant...

---

2240. Ethyl 3,7-dimethyloct-6-enoate

Link: https://3d.nih.gov/entries/3DPX-015875

Description: No description available

---

2241. Cyclohexyl 2-(2-methyl-4-nitroimidazol-1-yl)acetate

Link: https://3d.nih.gov/entries/3DPX-015876

Description: No description available

---

2242. Phosphatidylinositol 4,5-diphosphate

Link: https://3d.nih.gov/entries/3DPX-015877

Description: A phosphoinositide present in all eukaryotic cells, particularly in the plasma membrane. It is the major substrate for receptor-stimulated phosphoinositidase C, with the consequent formation of ino...

---

2243. Diazene

Link: https://3d.nih.gov/entries/3DPX-015902

Description: Diazene is a nitrogen hydride. It is a conjugate acid of a diazenide.

---

2244. Kuromanin

Link: https://3d.nih.gov/entries/3DPX-015913

Description: Cyanidin 3-O-beta-D-glucoside is an anthocyanin cation that is a cyanidin cation linked to a beta-D-glucosyl moiety at position 3. It has a role as a metabolite. It is an anthocyanin cation, a beta...

---

2245. Rapamycin as bound to FKBP and FRAP

Link: https://3d.nih.gov/entries/3DPX-015922

Description: The crystal structure of rapamycin as bound to FKBP12 and human FRAP

---

2246. 24-Epibrassinolide

Link: https://3d.nih.gov/entries/3DPX-015924

Description: 24-Epibrassinolide, from PubChem https://pubchem.ncbi.nlm.nih.gov/compound/Brassinolide Brassinosteroid

---

2247. Escitalopram

Link: https://3d.nih.gov/entries/3DPX-015927

Description: Escitalopram is a 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile that has S-configuration at the chiral centre. It is the active enantiomer of citalopram. It...

---

2248. 1-Butyl-3-vinylimidazolium

Link: https://3d.nih.gov/entries/3DPX-015928

Description: No description available

---

2249. 1-(4-Vinylbenzyl)-1H-imidazole

Link: https://3d.nih.gov/entries/3DPX-015929

Description: No description available

---

2250. N-Propyl-Methyl Piperidinium Bis(trifluoroMethylsulfonyl)Imide

Link: https://3d.nih.gov/entries/3DPX-015930

Description: Bistriflylimide anion is an imide anion in which the substituents on the negatively charged nitrogen are triflyl groups.

---

2251. Polypropylene glycol

Link: https://3d.nih.gov/entries/3DPX-015957

Description: Polypropylene glycol appears as colorless liquid that is odorless or has a mild sweet odor. May float or sink in water. (USCG, 1999)

---

2252. (Diphenylphosphoryl)(2,3,4-trimethylphenyl)methanone

Link: https://3d.nih.gov/entries/3DPX-015962

Description: No description available

---

2253. Phenylbis(2,4,6-trimethylbenzoyl)phosphine oxide

Link: https://3d.nih.gov/entries/3DPX-015963

Description: No description available

---

2254. Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide

Link: https://3d.nih.gov/entries/3DPX-015964

Description: No description available

---

2255. 9-Vinylcarbazole

Link: https://3d.nih.gov/entries/3DPX-015965

Description: No description available

---

2256. [(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-methylprop-2-enoate

Link: https://3d.nih.gov/entries/3DPX-015966

Description: No description available

---

2257. 2-Isopropylthioxanthone

Link: https://3d.nih.gov/entries/3DPX-015967

Description: No description available

---

2258. 4-Isopropylthioxanthone

Link: https://3d.nih.gov/entries/3DPX-015968

Description: No description available

---

2259. Ethyl phenyl(2,4,6-trimethylbenzoyl)phosphinate

Link: https://3d.nih.gov/entries/3DPX-015969

Description: Ethyl (mesitylcarbonyl)phenylphosphinate is a member of benzoic acids.

---

2260. 2,4,6-Trimethylbenzaldehyde

Link: https://3d.nih.gov/entries/3DPX-015970

Description: No description available

---

2261. 1-Hydroxycyclohexyl phenyl ketone

Link: https://3d.nih.gov/entries/3DPX-015971

Description: No description available

---

2262. Camphorquinone

Link: https://3d.nih.gov/entries/3DPX-015972

Description: Bornane-2,3-dione is a bornane monoterpenoid that is bicyclo[2.2.1]heptane substituted by methyl groups at positions 1, 7 and 7 and oxo groups at positions 2 and 3. It is a bornane monoterpenoid an...

---

2263. Physcion

Link: https://3d.nih.gov/entries/3DPX-015973

Description: Physcion is a dihydroxyanthraquinone that is 9,10-anthraquinone bearing hydroxy substituents at positions 1 and 8, a methoxy group at position 3, and a methyl group at position 6. It has been widel...

---

2264. 2,4-Diethyl-9H-thioxanthen-9-one

Link: https://3d.nih.gov/entries/3DPX-015974

Description: No description available

---

2265. 9,10-Dibutoxyanthracene

Link: https://3d.nih.gov/entries/3DPX-015975

Description: No description available

---

2266. 15151

Link: https://3d.nih.gov/entries/3DPX-010352

Description: No description available

---

2267. 13094

Link: https://3d.nih.gov/entries/3DPX-010355

Description: No description available

---

2268. Actinidine

Link: https://3d.nih.gov/entries/3DPX-010356

Description: Actinidine is a member of the class of cyclopentapyridines that is 6,7-dihydrocyclopenta[c]pyridine bearing two methyl substituents at positions 4 and 7. It has a role as a plant metabolite and a p...

---

2269. Iridomyrmecin

Link: https://3d.nih.gov/entries/3DPX-010357

Description: Iridomyrmecin is a terpene lactone.

---

2270. Normetanephrine

Link: https://3d.nih.gov/entries/3DPX-001036

Description: Normetanephrine is a catecholamine.

---

2271. Methanethiol

Link: https://3d.nih.gov/entries/3DPX-010360

Description: Methanethiol is an alkanethiol. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite.

---

2272. 1-Hexanethiol

Link: https://3d.nih.gov/entries/3DPX-010361

Description: 1-Hexanethiol is an alkanethiol.

---

2273. Cyclohexanecarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-010362

Description: Cyclohexanecarboxylic acid is a monocarboxylic acid that consists of cyclohexane substituted by a carboxy group. It is a conjugate acid of a cyclohexanecarboxylate.

---

2274. Fluorene

Link: https://3d.nih.gov/entries/3DPX-010363

Description: Fluorene is an ortho-fused tricyclic hydrocarbon that is a major component of fossil fuels and their derivatives It is an ortho-fused polycyclic arene and an ortho-fused tricyclic hydrocarbon.

---

2275. Benzo[b]thiophene-5-carboxaldehyde, 6-fluoro-

Link: https://3d.nih.gov/entries/3DPX-010364

Description: No description available

---

2276. Furan

Link: https://3d.nih.gov/entries/3DPX-010365

Description: Furan is a monocyclic heteroarene with a structure consisting of a 5-membered ring containing four carbons and one oxygen, with formula C4H4O. It is a toxic, flammable, low-boiling (31###) colourle...

---

2277. Quinoline

Link: https://3d.nih.gov/entries/3DPX-010366

Description: Quinoline is the simplest member of the quinoline class of compounds, comprising a benzene ring ortho fused to C-2 and C-3 of a pyridine ring. It is a mancude organic heterobicyclic parent, a membe...

---

2278. Pyrrole

Link: https://3d.nih.gov/entries/3DPX-010367

Description: 1H-pyrrole is a tautomer of pyrrole that has the double bonds at positions 2 and 4. It is a pyrrole and a secondary amine. It is a tautomer of a 2H-pyrrole and a 3H-pyrrole.

---

2279. Indolizine

Link: https://3d.nih.gov/entries/3DPX-010368

Description: Indolizine is a mancude organic heterobicyclic parent and a member of indolizines.

---

2280. Ce

Link: https://3d.nih.gov/entries/3DPX-010369

Description: No description available

---

2281. 1-Hydroperoxy-1-(1-hydroperoxy-4-methylcyclohexyl)peroxy-4-methylcyclohexane

Link: https://3d.nih.gov/entries/3DPX-001037

Description: No description available

---

2282. EMA401

Link: https://3d.nih.gov/entries/3DPX-010378

Description: No description available

---

2283. SN2

Link: https://3d.nih.gov/entries/3DPX-010382

Description: No description available

---

2284. CH3Br

Link: https://3d.nih.gov/entries/3DPX-010383

Description: No description available

---

2285. CH3CN

Link: https://3d.nih.gov/entries/3DPX-010384

Description: No description available

---

2286. CH2(CH3)Br

Link: https://3d.nih.gov/entries/3DPX-010385

Description: No description available

---

2287. CH(CH3)2Br

Link: https://3d.nih.gov/entries/3DPX-010386

Description: No description available

---

2288. C(CH3)3Br

Link: https://3d.nih.gov/entries/3DPX-010387

Description: No description available

---

2289. dBET57

Link: https://3d.nih.gov/entries/3DPX-010388

Description: No description available

---

2290. Nepetalactone cis-trans-form

Link: https://3d.nih.gov/entries/3DPX-010392

Description: Cis-trans-nepetalactone is a cyclopentapyran that is (4aS,7aR)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran substituted at position 1 by an oxo group and at positions 4 and 7 by methyl groups, respect...

---

2291. Isoiridomyrmecin

Link: https://3d.nih.gov/entries/3DPX-010393

Description: No description available

---

2292. Sodium Palmitate

Link: https://3d.nih.gov/entries/3DPX-010399

Description: No description available

---

2293. Cefotaxime

Link: https://3d.nih.gov/entries/3DPX-010407

Description: Cefotaxime is a cephalosporin compound having acetoxymethyl and [2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino side groups. It has a role as a drug allergen and an antibacterial drug. I...

---

2294. Loteprednol etabonate

Link: https://3d.nih.gov/entries/3DPX-010415

Description: Loteprednol etabonate is an etabonate ester, an 11beta-hydroxy steroid, a steroid ester, an organochlorine compound, a steroid acid ester and a 3-oxo-Delta(1),Delta(4)-steroid. It has a role as an ...

---

2295. Diallyl trisulfide

Link: https://3d.nih.gov/entries/3DPX-010439

Description: Diallyl trisulfide is an organic trisulfide that is trisulfane in which both of the hydrogens are replaced by allyl groups. A component of the essential oil of garlic and a major component of the t...

---

2296. Ramosetron

Link: https://3d.nih.gov/entries/3DPX-010441

Description: Ramosetron is a member of indoles.

---

2297. Ondansetron

Link: https://3d.nih.gov/entries/3DPX-010446

Description: Ondansetron is a member of carbazoles.

---

2298. 3,5-Dihydroxyphenylglycine

Link: https://3d.nih.gov/entries/3DPX-010447

Description: 2-amino-2-(3,5-dihydroxyphenyl)acetic acid is an alpha-amino acid.

---

2299. Triacsin C

Link: https://3d.nih.gov/entries/3DPX-010461

Description: Triacsins are a family of natural products containing an N‐hydroxytriazene moiety not found in any other known secondary metabolites. Triacsin C is a potent inhibitor of long fatty acyl CoA synthet...

---

2300. Diazepam

Link: https://3d.nih.gov/entries/3DPX-010495

Description: A model of Diazepam

---

2301. 2-Methyltetrahydrofuran-3-one

Link: https://3d.nih.gov/entries/3DPX-010502

Description: Dihydro-2-methyl-3(2H)-furanone is a member of oxolanes.

---

2302. Tetrahydrofuran

Link: https://3d.nih.gov/entries/3DPX-010504

Description: Oxolane is a cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. It has a role as a polar aprotic solvent. It is a member of oxolanes, a saturated ...

---

2303. Imatinib Mesylate

Link: https://3d.nih.gov/entries/3DPX-010516

Description: No description available

---

2304. Bosutinib

Link: https://3d.nih.gov/entries/3DPX-010517

Description: Bosutinib is a synthetic quinolone derivative and dual kinase inhibitor that targets both Abl and Src kinases with potential antineoplastic activity. Unlike imatinib, bosut...

---

2305. Cholesterol

Link: https://3d.nih.gov/entries/3DPX-001052

Description: Cholesterol is a cholestanoid consisting of cholestane having a double bond at the 5,6-position as well as a 3beta-hydroxy group. It has a role as a human metabolite, a mouse metabolite, a Daphnia ...

---

2306. CpG Binding Domain MolecularBio

Link: https://3d.nih.gov/entries/3DPX-010522

Description: No description available

---

2307. SPDMA test

Link: https://3d.nih.gov/entries/3DPX-010524

Description: No description available

---

2308. Lactosa

Link: https://3d.nih.gov/entries/3DPX-010535

Description: No description available

---

2309. Doxorubicin

Link: https://3d.nih.gov/entries/3DPX-010538

Description: Doxorubicin is an anthracycline antibiotic with antineoplastic activity. Doxorubicin, isolated from the bacterium Streptomyces peucetius var. caesius, is the hydroxylated congener of&nbsp...

---

2310. Water

Link: https://3d.nih.gov/entries/3DPX-001054

Description: Water is an oxygen hydride consisting of an oxygen atom that is covalently bonded to two hydrogen atoms It has a role as an amphiprotic solvent, a member of greenhouse gas, a human metabolite, a Sa...

---

2311. Cellulose chain

Link: https://3d.nih.gov/entries/3DPX-010548

Description: No description available

---

2312. Aspartame

Link: https://3d.nih.gov/entries/3DPX-001055

Description: Aspartame is a dipeptide obtained by formal condensation of the alpha-carboxy group of L-aspartic acid with the amino group of methyl L-phenylalaninate. Commonly used as an artificial sweetener. It...

---

2313. Paclitaxel

Link: https://3d.nih.gov/entries/3DPX-010550

Description: No description available

---

2314. cyclohexane

Link: https://3d.nih.gov/entries/3DPX-010551

Description: No description available

---

2315. Afatinib

Link: https://3d.nih.gov/entries/3DPX-010552

Description: Afatinib is an orally bioavailable anilino-quinazoline derivative and inhibitor of the receptor tyrosine kinase (RTK) epidermal growth factor receptor (ErbB; EGFR) family, with antin...

---

2316. Axitinib

Link: https://3d.nih.gov/entries/3DPX-010553

Description: Axitinib is an orally bioavailable tyrosine kinase inhibitor. Axitinib inhibits the proangiogenic cytokines vascular endothelial growth factor (VEGF) and platelet-derived g...

---

2317. Bendamustine

Link: https://3d.nih.gov/entries/3DPX-010554

Description: Bendamustine is a member of benzimidazoles.

---

2318. Bleomycin A2

Link: https://3d.nih.gov/entries/3DPX-010555

Description: Bleomycin A2 is the primary bleomycin species in bleomycin sulfate, a mixture of the sulfate salts of several basic glycopeptide antineoplastic antibiotics isolated from Strepto...

---

2319. Busulfan

Link: https://3d.nih.gov/entries/3DPX-010556

Description: Busulfan is an alkylating agent having a selective immunosuppressive effect on BONE MARROW. It has been used in the palliative treatment of chronic myeloid leukemia (MYELOID LEUKEMIA, CHRONIC), but...

---

2320. Cabazitaxel

Link: https://3d.nih.gov/entries/3DPX-010557

Description: Cabazitaxel is a semi-synthetic derivative of the natural taxoid 10-deacetylbaccatin III with potential antineoplastic activity. Cabazitaxel binds to and stabilizes tubulin...

---

2321. Cabozantinib

Link: https://3d.nih.gov/entries/3DPX-010558

Description: Cabozantinib is a dicarboxylic acid diamide that is N-phenyl-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide in which the hydrogen at position 4 on the phenyl ring is substituted by a (6,7-dimeth...

---

2322. Camptothecin

Link: https://3d.nih.gov/entries/3DPX-010559

Description: Camptothecin is a pyranoindolizinoquinoline that is pyrano[3',4':6,7]indolizino[1,2-b]quinoline which is substituted by oxo groups at positions 3 and 14, and by an ethyl group and a hydroxy group a...

---

2323. (2S,3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

Link: https://3d.nih.gov/entries/3DPX-001056

Description: Amylose is a glucan composed of unbranched chains of D-glucopyranose residues in alpha(1->4) glycosidic linkage. The number of repeated glucose subunits (n) is usually in the range of 300 to 3000, ...

---

2324. Carboplatinum

Link: https://3d.nih.gov/entries/3DPX-010560

Description: Carboplatin is a second-generation platinum compound with a broad spectrum of antineoplastic properties. Carboplatin contains a platinum

---

2325. Carmustine

Link: https://3d.nih.gov/entries/3DPX-010561

Description: Carmustine is an antineoplastic nitrosourea. Carmustine alkylates and cross-links DNA during all phases of the cell cycle, resulting in disruption of DNA function, cell cycle ar...

---

2326. Ceritinib

Link: https://3d.nih.gov/entries/3DPX-010562

Description: Ceritinib is a member of the class of aminopyrimidines that is 2,6-diamino-5-chloropyrimidine in which the amino groups at positions 2 and 6 are respectively carrying 2-methoxy-4-(piperidin-4-yl)-5...

---

2327. Chlorambucil

Link: https://3d.nih.gov/entries/3DPX-010563

Description: Chlorambucil is an orally-active antineoplastic aromatic nitrogen mustard. Chlorambucil alkylates and cross-links DNA during all phases of the cell cycle, resulting in disruption of ...

---

2328. Cladribine

Link: https://3d.nih.gov/entries/3DPX-010564

Description: Cladribine is a purine nucleoside antimetabolite analogue. Cladribine triphosphate, a phosphorylated metabolite of cladribine, incorporates into DNA, resulting in single-strand ...

---

2329. Clofarabine

Link: https://3d.nih.gov/entries/3DPX-010565

Description: Clofarabine is a purine nucleoside analogue consisting of a 6-amino-2-chloropurin-9-yl group attached to the 1beta position of 2'-deoxy-2'-fluoro-D-arabinofuranose. It is metabolized intracellularl...

---

2330. Crizotinib

Link: https://3d.nih.gov/entries/3DPX-010566

Description: Crizotinib is a 3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)pyrazol-4-yl]pyridin-2-amine that has R configuration at the chiral centre. The active enantiomer, it acts as a kinase...

---

2331. Cyclophosphamide

Link: https://3d.nih.gov/entries/3DPX-010567

Description: Cyclophosphamide is an alkylating agent used in the treatment of several forms of cancer including leukemias, lymphomas and breast cancer. Cyclophosphamide therapy is associated with...

---

2332. Cytarabine

Link: https://3d.nih.gov/entries/3DPX-010568

Description: Cytarabine is an antimetabolite analogue of cytidine with a modified sugar moiety (arabinose instead of ribose

---

2333. Dabrafenib

Link: https://3d.nih.gov/entries/3DPX-010569

Description: Dabrafenib is an organofluorine compound and antineoplastic agent, used as its mesylate salt in treatment of metastatic melanoma. It has a role as an antineoplastic agent, a B-Raf inhibitor and an ...

---

2334. Dactinomycin

Link: https://3d.nih.gov/entries/3DPX-010570

Description: Dactinomycin is a chromopeptide antineoplastic antibiotic isolated from the bacterium Streptomyces parvulus. Dactinomycin intercalates between adjacent guanine-cytosine

---

2335. Dasatinib

Link: https://3d.nih.gov/entries/3DPX-010571

Description: Dasatinib (anhydrous) is an aminopyrimidine that is 2-methylpyrimidine which is substituted at position 4 by the primary amino group of 2-amino-1,3-thiazole-5-carboxylic acid and at position 6 by a...

---

2336. Daunorubicin

Link: https://3d.nih.gov/entries/3DPX-010572

Description: Daunorubicin is a natural product found in Actinomadura roseola. It has a role as an antineoplastic agent and a bacterial metabolite. It is an anthracycline, a member of tetracenequinones, a member...

---

2337. Docetaxel

Link: https://3d.nih.gov/entries/3DPX-010573

Description: Docetaxel Anhydrous is the anhydrous form of docetaxel, a semisynthetic side-chain analogue of paclitaxel with antineoplastic property. Docetaxel binds specifically to...

---

2338. Epirubicin

Link: https://3d.nih.gov/entries/3DPX-010574

Description: 4'-epidoxorubicin is an anthracycline that is the 4'-epi-isomer of doxorubicin. It has a role as an EC 5.99.1.3 [DNA topoisomerase (ATP-hydrolysing)] inhibitor, an antineoplastic agent and an antim...

---

2339. Epothilone B

Link: https://3d.nih.gov/entries/3DPX-010575

Description: Epothilone B is an epithilone that is epithilone D in which the double bond in the macrocyclic ring has been oxidised to the corresponding epoxide (the S,S stereoisomer). It has a role as an apopto...

---

2340. Erlotinib

Link: https://3d.nih.gov/entries/3DPX-010576

Description: Erlotinib is a quinazoline compound having a (3-ethynylphenyl)amino group at the 4-position and two 2-methoxyethoxy groups at the 6- and 7-positions. It has a role as an antineoplastic agent, a pro...

---

2341. Everolimus

Link: https://3d.nih.gov/entries/3DPX-010578

Description: Everolimus is a derivative of the natural macrocyclic lactone sirolimus with immunosuppressant and anti-angiogenic properties. In cells, everolimus binds to the immunophili...

---

2342. Floxuridine

Link: https://3d.nih.gov/entries/3DPX-010579

Description: Floxuridine is a pyrimidine 2'-deoxyribonucleoside compound having 5-fluorouracil as the nucleobase; used to treat hepatic metastases of gastrointestinal adenocarcinomas and for palliation in malig...

---

2343. Fludarabine phosphate

Link: https://3d.nih.gov/entries/3DPX-010580

Description: Fludarabine phosphate is a purine arabinonucleoside monophosphate having 2-fluoroadenine as the nucleobase. A prodrug, it is rapidly dephosphorylated to 2-fluoro-ara-A and then phosphorylated intra...

---

2344. Fluorouracil

Link: https://3d.nih.gov/entries/3DPX-010581

Description: 5-fluorouracil is a nucleobase analogue that is uracil in which the hydrogen at position 5 is replaced by fluorine. It is an antineoplastic agent which acts as an antimetabolite - following convers...

---

2345. Gemcitabine

Link: https://3d.nih.gov/entries/3DPX-010582

Description: Gemcitabine is a 2'-deoxycytidine having geminal fluoro substituents in the 2'-position. An inhibitor of ribonucleotide reductase, gemcitabine is used in the treatment of various carcinomas, partic...

---

2346. Idarubicin

Link: https://3d.nih.gov/entries/3DPX-010583

Description: Idarubicin is a monosaccharide derivative, an anthracycline antibiotic and a deoxy hexoside. It derives from a hydride of a tetracene.

---

2347. Idelalisib

Link: https://3d.nih.gov/entries/3DPX-010584

Description: Idelalisib is a member of the class of quinazolines that is 5-fluoro-3-phenylquinazolin-4-one in which the hydrogen at position 2 is replaced by a (1S)-1-(3H-purin-6-ylamino)propyl group. used for ...

---

2348. Ifosfamide

Link: https://3d.nih.gov/entries/3DPX-010585

Description: Ifosfamide is the simplest member of the class of ifosfamides that is 1,3,2-oxazaphosphinan-2-amine 2-oxide substituted by 2-chloroethyl groups on both the nitrogen atoms respectively. It is a nitr...

---

2349. Ixabepilone

Link: https://3d.nih.gov/entries/3DPX-010586

Description: Ixabepilone is a macrocycle that is a lactam analogue of epothilone B. Binds directly to beta-tubulin subunits on microtubules, leading to suppression of microtubule dynamics. It has a role as an a...

---

2350. Lapatinib

Link: https://3d.nih.gov/entries/3DPX-010587

Description: Lapatinib is a synthetic, orally-active quinazoline with potential antineoplastic properties. Lapatinib reversibly blocks phosphorylation of the epidermal growth factor rec...

---

2351. Lenvatinib

Link: https://3d.nih.gov/entries/3DPX-010588

Description: Lenvatinib is a member of the class of quinolines that is the carboxamide of 4-{3-chloro-4-[(cyclopropylcarbamoyl)amino]phenoxy}-7-methoxyquinoline-6-carboxylic acid. A multi-kinase inhibitor and o...

---

2352. Lomustine

Link: https://3d.nih.gov/entries/3DPX-010589

Description: Lomustine is an N-nitrosourea that is urea in which one of the nitrogens is substituted by a 2-chloroethyl group and by a nitroso group, while the other nitrogen is substituted by a cyclohexyl grou...

---

2353. Melphalan

Link: https://3d.nih.gov/entries/3DPX-010590

Description: Melphalan is a phenylalanine derivative comprising L-phenylalanine having [bis(2-chloroethyl)amino group at the 4-position on the phenyl ring. It has a role as an antineoplastic agent, a carcinogen...

---

2354. mitomycin C

Link: https://3d.nih.gov/entries/3DPX-010591

Description: Mitomycin C is a mitomycin. It has a role as an antineoplastic agent and an alkylating agent. It is a conjugate acid of a mitomycin C(1-).

---

2355. Mitoxantrone

Link: https://3d.nih.gov/entries/3DPX-010592

Description: Mitoxantrone is a dihydroxyanthraquinone that is 1,4-dihydroxy-9,10-anthraquinone which is substituted by 6-hydroxy-1,4-diazahexyl groups at positions 5 and 8. It has a role as an antineoplastic ag...

---

2356. Nilotinib

Link: https://3d.nih.gov/entries/3DPX-010593

Description: Nilotinib is a member of (trifluoromethyl)benzenes, a member of pyrimidines, a member of pyridines, a member of imidazoles, a secondary amino compound and a secondary carboxamide. It has a role as ...

---

2357. Nintedanib

Link: https://3d.nih.gov/entries/3DPX-010594

Description: Nintedanib is an orally bioavailable, indolinone-derived, receptor tyrosine kinase (RTK) inhibitor with potential antiangiogenic and antineoplastic activities. Multitargeted&nbs...

---

2358. Palbociclib

Link: https://3d.nih.gov/entries/3DPX-010595

Description: Palbociclib is a member of the class of pyridopyrimidines that is 2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}pyrido[2,3-d]pyrimidin-7-one bearing additional methyl, acetyl and cyclopentyl substituent...

---

2359. Podofilox

Link: https://3d.nih.gov/entries/3DPX-010596

Description: Podophyllotoxin is an organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing a 3,4,5-trimethoxyphenyl substituent. It is found in the roots and rhizomes of Podophyllum sp...

---

2360. Ponatinib

Link: https://3d.nih.gov/entries/3DPX-010597

Description: Ponatinib is a benzamide obtained by the formal condensation of the carboxy group of 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoic acid with the anilino group of 4-[(4-methylpiperazin-1-y...

---

2361. Pralatrexate

Link: https://3d.nih.gov/entries/3DPX-010598

Description: Pralatrexate is a pteridine that is the N-4-[1-(2,4-diaminopteridin-6-yl)pent-4-yn-2-yl]benzoyl derivative of L-glutamic acid. Used for treatment of Peripheral T-Cell Lymphoma, an aggressive form o...

---

2362. Procarbazine

Link: https://3d.nih.gov/entries/3DPX-010599

Description: Procarbazine is a benzamide obtained by formal condensation of the carboxy group of 4-[(2-methylhydrazino)methyl]benzoic acid with the amino group of isopropylamine. An antineoplastic chemotherapy ...

---

2363. Regorafenib

Link: https://3d.nih.gov/entries/3DPX-010600

Description: Regorafenib is a pyridinecarboxamide obtained by condensation of 4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)-3-fluorophenoxy]pyridine-2-carboxylic acid with methylamine. Used for fo...

---

2364. Ridaforolimus

Link: https://3d.nih.gov/entries/3DPX-010601

Description: Ridaforolimus is a small molecule and non-prodrug analogue of the lipophilic macrolide antibiotic rapamycin with potential antitumor activity. Ridaforolimus binds to and in...

---

2365. Ruxolitinib

Link: https://3d.nih.gov/entries/3DPX-010602

Description: Ruxolitinib is a pyrazole substituted at position 1 by a 2-cyano-1-cyclopentylethyl group and at position 3 by a pyrrolo[2,3-d]pyrimidin-4-yl group. Used as the phosphate salt for the treatment of ...

---

2366. Sirolimus

Link: https://3d.nih.gov/entries/3DPX-010603

Description: Sirolimus is a natural macrocyclic lactone produced by the bacterium Streptomyces hygroscopicus, with immunosuppressant properties. In cells, sirolimus binds to the immunophilin FK B...

---

2367. Sorafenib

Link: https://3d.nih.gov/entries/3DPX-010604

Description: Sorafenib is a member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 4-chloro-3-trifluorophenyl group while the other is substituted by a phenyl group wh...

---

2368. Streptozotocin

Link: https://3d.nih.gov/entries/3DPX-010605

Description: Streptozocin is an N-nitrosourea that is an antibiotic produced by Streptomyces achromogenes. It is used as an antineoplastic agent and to induce diabetes in experimental animals. It has a role as ...

---

2369. Sunitinib

Link: https://3d.nih.gov/entries/3DPX-010606

Description: Sunitinib is a member of pyrroles and a monocarboxylic acid amide. It has a role as an angiogenesis inhibitor, an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor, ...

---

2370. Temsirolimus

Link: https://3d.nih.gov/entries/3DPX-010607

Description: Temsirolimus is an inhibitor of cell proliferation and anticancer agent that is used as treatment of advanced renal cell cancer. Temsirolimus therapy is frequently associated with mi...

---

2371. Thiotepa

Link: https://3d.nih.gov/entries/3DPX-010609

Description: Thiotepa is a member of aziridines.

---

2372. Tofacitinib

Link: https://3d.nih.gov/entries/3DPX-010610

Description: Tofacitinib is a pyrrolopyrimidine that is pyrrolo[2,3-d]pyrimidine substituted at position 4 by an N-methyl,N-(1-cyanoacetyl-4-methylpiperidin-3-yl)amino moiety. Used as its citrate salt to treat ...

---

2373. Trametinib

Link: https://3d.nih.gov/entries/3DPX-010611

Description: Trametinib is a pyridopyrimidine that is used (as its dimethyl sulfoxide addition compound) for the treatment of patients with unresectable or metastatic melanoma with BRAF V600E or V600K mutations...

---

2374. Valrubicin

Link: https://3d.nih.gov/entries/3DPX-010612

Description: Valrubicin is a semisynthetic derivative of the antineoplastic anthracycline antibiotic doxorubicin. With a mechanism of action that appears to differ from doxorubicin, valrubic...

---

2375. Vemurafenib

Link: https://3d.nih.gov/entries/3DPX-010613

Description: Vemurafenib is a pyrrolopyridine that is 1H-pyrrolo[2,3-b]pyridine which is substituted at position 5 by a p-chlorophenyl group and at positions 3 by a 3-amino-2,6-difluorobenzoyl group, the amino ...

---

2376. Vinblastine

Link: https://3d.nih.gov/entries/3DPX-010614

Description: Vinblastine is a natural alkaloid isolated from the plant Vinca rosea Linn. Vinblastine binds to tubulin and inhibits microtubule formation, resulting in disruption of mitotic spindl...

---

2377. Vincristine

Link: https://3d.nih.gov/entries/3DPX-010615

Description: Vincristine is a natural alkaloid isolated from the plant Vinca rosea Linn. Vincristine binds irreversibly to microtubules and spindle proteins in S phase of the cell cycle and inter...

---

2378. Vinorelbine

Link: https://3d.nih.gov/entries/3DPX-010616

Description: Vinorelbine is a semisynthetic vinca alkaloid. Vinorelbine binds to tubulin and prevents formation of the mitotic spindle, resulting in the arrest of tumor cell growth in metaphase. ...

---

2379. UiO-66

Link: https://3d.nih.gov/entries/3DPX-010631

Description: No description available

---

2380. Caffeine molecule

Link: https://3d.nih.gov/entries/3DPX-010639

Description: No description available

---

2381. 9-cis-retinal

Link: https://3d.nih.gov/entries/3DPX-010658

Description: No description available

---

2382. Oxyhemoglobin

Link: https://3d.nih.gov/entries/3DPX-010679

Description: No description available

---

2383. Serotonin

Link: https://3d.nih.gov/entries/3DPX-010681

Description: No description available

---

2384. Cellononaose

Link: https://3d.nih.gov/entries/3DPX-010683

Description: Extracted from PDB 4C4C

---

2385. Serotonin

Link: https://3d.nih.gov/entries/3DPX-010686

Description: Serotonin structure, the 3D coordinate is from PubChem https://pubchem.ncbi.nlm.nih.gov/compound/serotonin, converted to PDB format using http://pasilla.health.unm.edu/tomcat/biocomp/conv...

---

2386. 6-Nitroveratraldehyde

Link: https://3d.nih.gov/entries/3DPX-010697

Description: 4,5-dimethoxy-2-nitrobenzaldehyde is a C-nitro compound and an aromatic ether.

---

2387. H2S molecule

Link: https://3d.nih.gov/entries/3DPX-010705

Description: Hyrogen sulfide molecule

---

2388. 5-Hydroxymethylfurfural

Link: https://3d.nih.gov/entries/3DPX-010718

Description: 5-hydroxymethylfurfural is a member of the class of furans that is furan which is substituted at positions 2 and 5 by formyl and hydroxymethyl substituents, respectively. Virtually absent from fres...

---

2389. Diazepam

Link: https://3d.nih.gov/entries/3DPX-001072

Description: Diazepam is a 1,4-benzodiazepinone that is 1,3-dihydro-2H-1,4-benzodiazepin-2-one substituted by a chloro group at position 7, a methyl group at position 1 and a phenyl group at position 5. It has ...

---

2390. Hydrochlorothiazide

Link: https://3d.nih.gov/entries/3DPX-001073

Description: Hydrochlorothiazide is a benzothiadiazine that is 3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide substituted by a chloro group at position 6 and a sulfonamide at 7. It is diuretic used for the t...

---

2391. oligocellulose with hydrogen bonding

Link: https://3d.nih.gov/entries/3DPX-010730

Description: No description available

---

2392. MFI zeolite

Link: https://3d.nih.gov/entries/3DPX-010731

Description: No description available

---

2393. UiO-66 no hydrogen

Link: https://3d.nih.gov/entries/3DPX-010732

Description: No description available

---

2394. Graphene

Link: https://3d.nih.gov/entries/3DPX-010735

Description: No description available

---

2395. N7GAG

Link: https://3d.nih.gov/entries/3DPX-010742

Description: No description available

---

2396. PHIP DNA ADDUCT

Link: https://3d.nih.gov/entries/3DPX-010743

Description: No description available

---

2397. Methyl levulinate

Link: https://3d.nih.gov/entries/3DPX-010765

Description: Methyl levulinate is an oxo carboxylic acid.

---

2398. gamma-Valerolactone

Link: https://3d.nih.gov/entries/3DPX-010766

Description: Gamma-valerolactone is a butan-4-olide that is dihydrofuran-2(3H)-one substituted by a methyl group at position 5. It has been found in the urine samples of humans exposed to n-hexane. It has a rol...

---

2399. Graphene

Link: https://3d.nih.gov/entries/3DPX-010768

Description: No description available

---

2400. CuO

Link: https://3d.nih.gov/entries/3DPX-010776

Description: No description available

---

2401. NiO

Link: https://3d.nih.gov/entries/3DPX-010777

Description: No description available

---

2402. trans-2,6,6-Trimethyl-1-(2-butenoyl)cyclohexa-2,4-diene

Link: https://3d.nih.gov/entries/3DPX-010778

Description: No description available

---

2403. Damascenone

Link: https://3d.nih.gov/entries/3DPX-010779

Description: Beta-damascenone is a cyclic monoterpene ketone that is 2,6,6-trimethylcyclohexa-1,3-diene substituted at position 1 by a crotonoyl group. It has a role as a fragrance, a volatile oil component and...

---

2404. Anthrax Lethal Factor Protease Inhibitor III

Link: https://3d.nih.gov/entries/3DPX-010780

Description: No description available

---

2405. p53_14-3-3

Link: https://3d.nih.gov/entries/3DPX-010812

Description: No description available

---

2406. 14-3-3

Link: https://3d.nih.gov/entries/3DPX-010815

Description: No description available

---

2407. MIVWVMMAZAALNA-UHFFFAOYSA-N

Link: https://3d.nih.gov/entries/3DPX-010823

Description: No description available

---

2408. CPZEN-45 (RQVDLVWYEOCAJE-KDHSHZOVSA-N)

Link: https://3d.nih.gov/entries/3DPX-010827

Description: No description available

---

2409. ONC201

Link: https://3d.nih.gov/entries/3DPX-010831

Description: No description available

---

2410. Methotrexate

Link: https://3d.nih.gov/entries/3DPX-010833

Description: Methotrexate

---

2411. Quercetin

Link: https://3d.nih.gov/entries/3DPX-010834

Description: Quercetin

---

2412. Test

Link: https://3d.nih.gov/entries/3DPX-010836

Description: No description available

---

2413. verbenone2

Link: https://3d.nih.gov/entries/3DPX-010843

Description: No description available

---

2414. Morphine

Link: https://3d.nih.gov/entries/3DPX-010847

Description: No description available

---

2415. methane

Link: https://3d.nih.gov/entries/3DPX-010867

Description: No description available

---

2416. water

Link: https://3d.nih.gov/entries/3DPX-010868

Description: No description available

---

2417. monoxido de carbono

Link: https://3d.nih.gov/entries/3DPX-010869

Description: No description available

---

2418. ammonia

Link: https://3d.nih.gov/entries/3DPX-010870

Description: No description available

---

2419. trioxido de enxofre

Link: https://3d.nih.gov/entries/3DPX-010871

Description: No description available

---

2420. Acetic Acid Dimer D1

Link: https://3d.nih.gov/entries/3DPX-010880

Description: No description available

---

2421. Chloredecone

Link: https://3d.nih.gov/entries/3DPX-010884

Description: No description available

---

2422. Tamoxifen-DNA adduct

Link: https://3d.nih.gov/entries/3DPX-010888

Description: No description available

---

2423. Tamoxifen-DNA adduct_2

Link: https://3d.nih.gov/entries/3DPX-010890

Description: No description available

---

2424. Adenine

Link: https://3d.nih.gov/entries/3DPX-010900

Description: No description available

---

2425. molecule

Link: https://3d.nih.gov/entries/3DPX-010905

Description: No description available

---

2426. 4-Hydroxynonenal

Link: https://3d.nih.gov/entries/3DPX-010912

Description: No description available

---

2427. Decamethyltetrasiloxan

Link: https://3d.nih.gov/entries/3DPX-010918

Description: No description available

---

2428. 9-HPODE

Link: https://3d.nih.gov/entries/3DPX-010928

Description: No description available

---

2429. 11-h-12-e-LA no hydrogen

Link: https://3d.nih.gov/entries/3DPX-010930

Description: No description available

---

2430. Acrolein

Link: https://3d.nih.gov/entries/3DPX-010932

Description: No description available

---

2431. D-Glucose 6-phosphate

Link: https://3d.nih.gov/entries/3DPX-010969

Description: No description available

---

2432. D-Fructose 6-phosphate

Link: https://3d.nih.gov/entries/3DPX-010970

Description: No description available

---

2433. beta-Fructose-1,6-Diphosphate

Link: https://3d.nih.gov/entries/3DPX-010971

Description: No description available

---

2434. Dihydroxyacetone phosphate

Link: https://3d.nih.gov/entries/3DPX-010972

Description: No description available

---

2435. Glyceraldehyde-3-phosphate

Link: https://3d.nih.gov/entries/3DPX-010973

Description: No description available

---

2436. 1,3-biphosphoglycerate

Link: https://3d.nih.gov/entries/3DPX-010974

Description: No description available

---

2437. 3-Phosphoglycerate

Link: https://3d.nih.gov/entries/3DPX-010975

Description: No description available

---

2438. 2-phosphoglycerate

Link: https://3d.nih.gov/entries/3DPX-010976

Description: No description available

---

2439. Phosphoenolpyruvate

Link: https://3d.nih.gov/entries/3DPX-010977

Description: No description available

---

2440. Pyruvate

Link: https://3d.nih.gov/entries/3DPX-010978

Description: No description available

---

2441. D-Glucose

Link: https://3d.nih.gov/entries/3DPX-010979

Description: No description available

---

2442. Adenosine-5'-triphosphate

Link: https://3d.nih.gov/entries/3DPX-010980

Description: No description available

---

2443. Adenosine-5'-diphosphate

Link: https://3d.nih.gov/entries/3DPX-010981

Description: No description available

---

2444. NADH

Link: https://3d.nih.gov/entries/3DPX-010982

Description: No description available

---

2445. NAD+

Link: https://3d.nih.gov/entries/3DPX-010983

Description: No description available

---

2446. Water

Link: https://3d.nih.gov/entries/3DPX-010985

Description: No description available

---

2447. NADH

Link: https://3d.nih.gov/entries/3DPX-010986

Description: No description available

---

2448. NAD+

Link: https://3d.nih.gov/entries/3DPX-010987

Description: No description available

---

2449. Tryprostatin A

Link: https://3d.nih.gov/entries/3DPX-011018

Description: A prenylated natural product with multiple anti-cancer mechanisms of action includeing tubulin inhibition, topoisomerase II inhibition, and BCRP inhibition

---

2450. Ice - water

Link: https://3d.nih.gov/entries/3DPX-011036

Description: Ice - water in the solid state

---

2451. fluminorex

Link: https://3d.nih.gov/entries/3DPX-011056

Description: No description available

---

2452. FSC_RD

Link: https://3d.nih.gov/entries/3DPX-011059

Description: No description available

---

2453. Peptide_RDa

Link: https://3d.nih.gov/entries/3DPX-011060

Description: No description available

---

2454. Fluoxetine

Link: https://3d.nih.gov/entries/3DPX-011068

Description: No description available

---

2455. Saquinavir, DP, AZ, AA

Link: https://3d.nih.gov/entries/3DPX-011101

Description: Devin Pontigon, April Zuniga, Aimee Aviles

---

2456. saquinavirSHSHFG

Link: https://3d.nih.gov/entries/3DPX-011121

Description: Sarah Haviland, Serena Huang, Faith Gabito's saquinavir molecule for CHEM 151

---

2457. Saquinavir JP, HL, LZ

Link: https://3d.nih.gov/entries/3DPX-011138

Description: Josephine Pham, Helen Le, Lingyue Zhou

---

2458. CHEM 151 - Saquinavir AG,NS,AA

Link: https://3d.nih.gov/entries/3DPX-011139

Description: Alex Gonzalez Noor Shaba Amani Al-sheikh-aleais

---

2459. Graphene oxide sheet

Link: https://3d.nih.gov/entries/3DPX-011140

Description: No description available

---

2460. Saquinavir Molecule

Link: https://3d.nih.gov/entries/3DPX-011144

Description: No description available

---

2461. AR, ES, SM

Link: https://3d.nih.gov/entries/3DPX-011147

Description: Austin Ready, Evan Schreiber, Samar Mashni

---

2462. NW, DL, JM

Link: https://3d.nih.gov/entries/3DPX-011150

Description: Nien-Chen Weng, Danielle Linn, Jessica Maynard

---

2463. Saquinavir (Submission 2) CV VW VL

Link: https://3d.nih.gov/entries/3DPX-011153

Description: Carolynne Vo, Vania Wang, Victor Losay

---

2464. Saquinavir_VV

Link: https://3d.nih.gov/entries/3DPX-011154

Description: Victoria Vasilat, Rain Velasquez, Anlong Zhang

---

2465. Gibberellic Acid

Link: https://3d.nih.gov/entries/3DPX-011155

Description: No description available

---

2466. Adamantane

Link: https://3d.nih.gov/entries/3DPX-011156

Description: No description available

---

2467. saquinavir, CFY, YL, DO

Link: https://3d.nih.gov/entries/3DPX-011158

Description: CHI FAT YEUNG YUJIE LIU DIEGO OLIVARES

---

2468. Sasquinavir SL BC JC

Link: https://3d.nih.gov/entries/3DPX-011159

Description: Savanna Lee, Brandon Chen, Jaclyn Choi

---

2469. saquinavir TL DL AL

Link: https://3d.nih.gov/entries/3DPX-011160

Description: Tony Le David Lin Austin Lee

---

2470. Sasquinavir AJ AK AB

Link: https://3d.nih.gov/entries/3DPX-011161

Description: Andrew Jespersen, Allison Kramer, Adam Baldonado

---

2471. Sasquinavir_AM,AD,IC,HT

Link: https://3d.nih.gov/entries/3DPX-011168

Description: Archie McLachlan, Andres Delgado, Ingrid Chai, Han Tran

---

2472. Sasquinavir_GZ_JL_JH

Link: https://3d.nih.gov/entries/3DPX-011169

Description: Giovanni Zillinger, Jose Leyva, James Ho

---

2473. 2,2,3-Trichlorobutane-1,1-diol

Link: https://3d.nih.gov/entries/3DPX-011172

Description: No description available

---

2474. Sasquinavir_JRM_NC_BF

Link: https://3d.nih.gov/entries/3DPX-011173

Description: No description available

---

2475. Saquinavir_AT_RY_EF

Link: https://3d.nih.gov/entries/3DPX-011174

Description: Aaron Trando, Rachel Yim, Emerald Frank

---

2476. Propane-d8

Link: https://3d.nih.gov/entries/3DPX-011175

Description: No description available

---

2477. Sasquinavir_PDS_HN_AR

Link: https://3d.nih.gov/entries/3DPX-011176

Description: Paul Savchenko Hannah Nguyen Amineh Rastandeh

---

2478. PLA

Link: https://3d.nih.gov/entries/3DPX-011178

Description: For CHEM151 PLA Project

---

2479. Sasquinavir_VV

Link: https://3d.nih.gov/entries/3DPX-011180

Description: Victoria Vasilat, Rain Velasquez, Anlong Zhang

---

2480. Sasquinavir RB EL HK

Link: https://3d.nih.gov/entries/3DPX-011182

Description: Group Members: Ryan Britt Eric Lee Hunter Kirby

---

2481. Sasquinavir_BC_SL_JC

Link: https://3d.nih.gov/entries/3DPX-011187

Description: Savanna Lee, Brandon Chen, Jaclyn Choi

---

2482. Sasquinavir_MN & TT

Link: https://3d.nih.gov/entries/3DPX-011190

Description: Matthew Nguon Thien Truong

---

2483. Sasquinavir RWN RB and RK

Link: https://3d.nih.gov/entries/3DPX-011192

Description: Rachel Blake, Roghiye Kazimi, and Richard Niederecker

---

2484. Sasquinavir_CK_PA_DG

Link: https://3d.nih.gov/entries/3DPX-011196

Description: Chris Kern Peter Alhajjar David Garcia

---

2485. Sasquinavir_IC

Link: https://3d.nih.gov/entries/3DPX-011198

Description: Ingrid Chai Han Tran Andres Delgado Archie Mclachlan

---

2486. Coniine

Link: https://3d.nih.gov/entries/3DPX-011203

Description: No description available

---

2487. Sasquinavir_RL, NB, DW

Link: https://3d.nih.gov/entries/3DPX-011204

Description: Rachel Loustaunau Nancy Bachour Dalida Warda

---

2488. Sasquinavir - CFY, DO, YJL

Link: https://3d.nih.gov/entries/3DPX-011207

Description: CHI FAT YEUNG Diego Olivares Yujie Liu

---

2489. Sasquinavir_RS_YA

Link: https://3d.nih.gov/entries/3DPX-011208

Description: Robert Scholem Yusuf Alrimimi

---

2490. Aplog-1

Link: https://3d.nih.gov/entries/3DPX-011209

Description: No description available

---

2491. 1-Propanaminium, 2-(acetyloxy)-3-carboxy-N,N,N-trimethyl-, inner salt

Link: https://3d.nih.gov/entries/3DPX-001121

Description: No description available

---

2492. Saqunavir_VV_519

Link: https://3d.nih.gov/entries/3DPX-011211

Description: Victoria Vasilat, Rain Velasquez, Anlong Zhang

---

2493. 2-Fucosyllactose

Link: https://3d.nih.gov/entries/3DPX-011212

Description: No description available

---

2494. PITC

Link: https://3d.nih.gov/entries/3DPX-011216

Description: No description available

---

2495. Atropine

Link: https://3d.nih.gov/entries/3DPX-011218

Description: No description available

---

2496. Atropine

Link: https://3d.nih.gov/entries/3DPX-011219

Description: No description available

---

2497. Atropine 2

Link: https://3d.nih.gov/entries/3DPX-011220

Description: No description available

---

2498. Hyoscine

Link: https://3d.nih.gov/entries/3DPX-011221

Description: Scopolamine is a tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. It has a role as a muscarinic antagonist, an antiemetic, an adjuvant, a my...

---

2499. Cyclobutane, 2-chloro-1,1,2-trifluoro-3-(1,1,2,2-tetrafluoro-3-butenyl)-, trans-

Link: https://3d.nih.gov/entries/3DPX-011225

Description: No description available

---

2500. Scopolamine

Link: https://3d.nih.gov/entries/3DPX-011233

Description: No description available

---

2501. Methyl 2-hydroxy-3-methylpent-4-enoate

Link: https://3d.nih.gov/entries/3DPX-011235

Description: No description available

---

2502. Cu-HWHK peptide

Link: https://3d.nih.gov/entries/3DPX-011240

Description: Copper binding peptide HWHK

---

2503. Chloroform

Link: https://3d.nih.gov/entries/3DPX-011243

Description: CHLOROFORM is a clear colorless liquid with a characteristic odor. Denser (12.3 lb / gal) than water and slightly soluble in water. Hence sinks in water. Nonflammable under most conditions, but bur...

---

2504. Gold nanoparticle with surfactant 2 nm

Link: https://3d.nih.gov/entries/3DPX-011249

Description: Simulated 2 nm gold nanoparticle with surfactant

---

2505. Surfactant

Link: https://3d.nih.gov/entries/3DPX-011255

Description: Surfactant for uncoated nanoparticle

---

2506. Gold nanoparticle with surfactant (no H) 2 nm

Link: https://3d.nih.gov/entries/3DPX-011259

Description: No description available

---

2507. Gold nanoparticle without surfactant 2 nm

Link: https://3d.nih.gov/entries/3DPX-011260

Description: Simulated 2 nm gold nanoparticle

---

2508. Thiolated carboxy-terminal Polyethyleneglycol (HS-PEG(n=6)-COOH)

Link: https://3d.nih.gov/entries/3DPX-011262

Description: Simulated structure of HS-PEG-COOH n = 6 without hydrogens

---

2509. Tremetone

Link: https://3d.nih.gov/entries/3DPX-011263

Description: Tremetone is a member of benzofurans.

---

2510. Suzuki Catalyst 143B

Link: https://3d.nih.gov/entries/3DPX-011269

Description: No description available

---

2511. NaCl

Link: https://3d.nih.gov/entries/3DPX-011270

Description: No description available

---

2512. O2

Link: https://3d.nih.gov/entries/3DPX-011271

Description: No description available

---

2513. H2

Link: https://3d.nih.gov/entries/3DPX-011272

Description: No description available

---

2514. NaOH

Link: https://3d.nih.gov/entries/3DPX-011273

Description: No description available

---

2515. HCl

Link: https://3d.nih.gov/entries/3DPX-011274

Description: No description available

---

2516. CaO

Link: https://3d.nih.gov/entries/3DPX-011275

Description: No description available

---

2517. CaCl2

Link: https://3d.nih.gov/entries/3DPX-011276

Description: No description available

---

2518. AlN

Link: https://3d.nih.gov/entries/3DPX-011277

Description: No description available

---

2519. Al2O3

Link: https://3d.nih.gov/entries/3DPX-011278

Description: No description available

---

2520. HNO2

Link: https://3d.nih.gov/entries/3DPX-011279

Description: No description available

---

2521. (-)-Epigallocatechin gallate

Link: https://3d.nih.gov/entries/3DPX-011285

Description: (-)-epigallocatechin 3-gallate is a gallate ester obtained by the formal condensation of gallic acid with the (3R)-hydroxy group of (-)-epigallocatechin. It has a role as an antineoplastic agent, a...

---

2522. Structure of the E2 beryllium fluoride complex of the SERCA Ca 2+-ATPase

Link: https://3d.nih.gov/entries/3DPX-011297

Description: No description available

---

2523. BiNap_S

Link: https://3d.nih.gov/entries/3DPX-011299

Description: No description available

---

2524. BiNap_R

Link: https://3d.nih.gov/entries/3DPX-011300

Description: No description available

---

2525. R-Carvone

Link: https://3d.nih.gov/entries/3DPX-011304

Description: No description available

---

2526. 2-Amino-3-methyl-9H-pyrido[2,3-b]indole

Link: https://3d.nih.gov/entries/3DPX-011320

Description: 2-Amino-3-methyl-9H-pyrido[2,3-b]indole is a pyridoindole.

---

2527. N'-[3,5-Bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl-phenyl]thiourea

Link: https://3d.nih.gov/entries/3DPX-011322

Description: No description available

---

2528. N'-[3,5-Bis(trifluoromethyl)phenyl]-N-[4-bromo-2-(2H-tetrazol-5-yl-phenyl]thiourea

Link: https://3d.nih.gov/entries/3DPX-011323

Description: No description available

---

2529. Cu-HWH

Link: https://3d.nih.gov/entries/3DPX-011332

Description: No description available

---

2530. Cu-HWH ATCUN

Link: https://3d.nih.gov/entries/3DPX-011333

Description: No description available

---

2531. Carvone-R

Link: https://3d.nih.gov/entries/3DPX-011335

Description: No description available

---

2532. perbs

Link: https://3d.nih.gov/entries/3DPX-011336

Description: fsh furniture offers a wide range of bed furniture dubai, sofas in dubai, table and armchair items for sale in different designs and sizes. Browse now!

---

2533. R-Carvone

Link: https://3d.nih.gov/entries/3DPX-011337

Description: No description available

---

2534. heme - from PDB:4hhb chain:G

Link: https://3d.nih.gov/entries/3DPX-011343

Description: No description available

---

2535. 1

Link: https://3d.nih.gov/entries/3DPX-011364

Description: No description available

---

2536. Technetium Tc-99m

Link: https://3d.nih.gov/entries/3DPX-011366

Description: No description available

---

2537. Florbetaben

Link: https://3d.nih.gov/entries/3DPX-011369

Description: No description available

---

2538. Iobenguane i 123

Link: https://3d.nih.gov/entries/3DPX-011370

Description: No description available

---

2539. AuNP shell

Link: https://3d.nih.gov/entries/3DPX-011386

Description: No description available

---

2540. Diazomethane

Link: https://3d.nih.gov/entries/3DPX-011417

Description: Diazomethane is the simplest diazo compound, in which a diazo group is attached to a methylene group. It has a role as an alkylating agent, an antineoplastic agent, a carcinogenic agent and a poison.

---

2541. Bixin

Link: https://3d.nih.gov/entries/3DPX-011419

Description: 6-Methyl hydrogen (9Z)-6,6′-diapocarotene-6,6’-dioate

---

2542. Sphinx31

Link: https://3d.nih.gov/entries/3DPX-011420

Description: Sphinx31 is an SRPK1 inhibitor

---

2543. norbixin

Link: https://3d.nih.gov/entries/3DPX-011421

Description: No description available

---

2544. Bixin

Link: https://3d.nih.gov/entries/3DPX-011422

Description: No description available

---

2545. Maillose

Link: https://3d.nih.gov/entries/3DPX-011423

Description: No description available

---

2546. Beta carotene

Link: https://3d.nih.gov/entries/3DPX-011424

Description: No description available

---

2547. Allura red

Link: https://3d.nih.gov/entries/3DPX-011425

Description: No description available

---

2548. sodium ethyl xanthate

Link: https://3d.nih.gov/entries/3DPX-011427

Description: No description available

---

2549. heparin

Link: https://3d.nih.gov/entries/3DPX-011432

Description: No description available

---

2550. L-Tartaric acid

Link: https://3d.nih.gov/entries/3DPX-011445

Description: L-tartaric acid is a tartaric acid. It is a conjugate acid of a L-tartrate(1-). It is an enantiomer of a D-tartaric acid.

---

2551. (Z)-4-[(4-methyl-1-phenylpentan-3-yl)amino]-4-oxobut-2-enoic acid

Link: https://3d.nih.gov/entries/3DPX-011450

Description: No description available

---

2552. Boroxol Ring

Link: https://3d.nih.gov/entries/3DPX-011453

Description: No description available

---

2553. 1,8-ANS

Link: https://3d.nih.gov/entries/3DPX-011455

Description: No description available

---

2554. Dexamethasone

Link: https://3d.nih.gov/entries/3DPX-011457

Description: Dexamethasone is a fluorinated steroid that is 9-fluoropregna-1,4-diene substituted by hydroxy groups at positions 11, 17 and 21, a methyl group at position 16 and oxo groups at positions 3 and 20....

---

2555. 1,5-Dihydroxy-3-methylanthraquinone

Link: https://3d.nih.gov/entries/3DPX-011460

Description: No description available

---

2556. 1,5-Diamino-4,8-dihydroxyanthraquinone

Link: https://3d.nih.gov/entries/3DPX-011462

Description: No description available

---

2557. (-)-Cinchonidine

Link: https://3d.nih.gov/entries/3DPX-011464

Description: Cinchonidine is 8-epi-Cinchonan in which a hydrogen at position 9 is substituted by hydroxy (R configuration). A diasteroisomer of cinchonine, it occurs in the bark of most varieties of Cinchona sh...

---

2558. Oleuropein

Link: https://3d.nih.gov/entries/3DPX-011465

Description: Oleuropein is a secoiridoid glycoside that is the methyl ester of 3,4-dihydro-2H-pyran-5-carboxylic acid which is substituted at positions 2, 3, and 4 by hydroxy, ethylidene, and carboxymethyl grou...

---

2559. 1,3-Benzodioxole

Link: https://3d.nih.gov/entries/3DPX-001344

Description: 1,3-benzodioxole is a benzodioxole consisting of a benzene ring substituted by a the methylenedioxy group.

---

2560. N-[(2-bromophenyl)methyl]-N-methylprop-2-yn-1-amine

Link: https://3d.nih.gov/entries/3DPX-013462

Description: No description available

---

2561. Morpholine, 4-[3-(4-morpholinyl)-2-phenyl-1-thioxo-2-propenyl]-

Link: https://3d.nih.gov/entries/3DPX-013465

Description: No description available

---

2562. 1-[2-(1,4-Diazepane-1-carbonyl)-4-[(3-methoxyphenyl)methyl-[(4-nitrophenyl)methyl]amino]pyrrolidin-1-yl]-2-methoxyethanone

Link: https://3d.nih.gov/entries/3DPX-013493

Description: No description available

---

2563. Tetrafluoroethylene

Link: https://3d.nih.gov/entries/3DPX-001359

Description: Tetrafluoroethene is a fluorocarbon.

---

2564. 2-Acetyl-2-thiazoline

Link: https://3d.nih.gov/entries/3DPX-013896

Description: 2-Acetyl-4,5-dihydrothiazole is a member of thiazoles.

---

2565. Molecule

Link: https://3d.nih.gov/entries/3DPX-013915

Description: A molecule thingy

---

2566. Quetiapine

Link: https://3d.nih.gov/entries/3DPX-013939

Description: Quetiapine is a dibenzothiazepine, a N-alkylpiperazine and a N-arylpiperazine. It has a role as a serotonergic antagonist, a dopaminergic antagonist, a histamine antagonist, an adrenergic antagonis...

---

2567. Ser-Phe-Ser-Pro-phe

Link: https://3d.nih.gov/entries/3DPX-014027

Description: Péptapeptido hidrlizable por la pepsina compuesto por Ser-Phe-Ser-Pro-phe.

---

2568. Ser-Phe-Ser-Pro-phe

Link: https://3d.nih.gov/entries/3DPX-014029

Description: Es un pentapéptido que actúa como sustrato de la pepsina, principalmente por estar compuesto por fenilalanina, aminoácido hidrofóbico y aromático; el cual la pepsina hidroliza con mayor efectividad...

---

2569. Diethyl (4S,6R,7S)-5-oxo-2-propyl-7-thiophen-2-yl-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate

Link: https://3d.nih.gov/entries/3DPX-014032

Description: No description available

---

2570. Porphyrin

Link: https://3d.nih.gov/entries/3DPX-014078

Description: For testing purposes.

---

2571. 4-Pyridin-4-yl-3-(trifluoromethyl)pyridine

Link: https://3d.nih.gov/entries/3DPX-014079

Description: 4-Pyridin-4-yl-3-(trifluoromethyl)pyridine

---

2572. Filgotinib

Link: https://3d.nih.gov/entries/3DPX-014202

Description: N/A

---

2573. 5-((5-(4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)-2-methylphenyl)ethynyl)-N,1-dimethyl-1H-imidazole-2-carboxamide

Link: https://3d.nih.gov/entries/3DPX-014215

Description: No description available

---

2574. alpha-ethylbenzylalcohol

Link: https://3d.nih.gov/entries/3DPX-014230

Description: alpha-ethylbenzylalcohol

---

2575. Chloromethane

Link: https://3d.nih.gov/entries/3DPX-014231

Description: Chloromethane is a one-carbon compound that is methane in which one of the hydrogens is replaced by a chloro group. It has a role as a refrigerant, a mutagen and a marine metabolite. It is a member...

---

2576. Water molecule

Link: https://3d.nih.gov/entries/3DPX-014245

Description: 3d water molecule

---

2577. Glycogen

Link: https://3d.nih.gov/entries/3DPX-001427

Description: No description available

---

2578. 1-Tetradecene, 10-butyl

Link: https://3d.nih.gov/entries/3DPX-014279

Description: No description available

---

2579. Penicillin G

Link: https://3d.nih.gov/entries/3DPX-001428

Description: Benzylpenicillin is a penicillin in which the substituent at position 6 of the penam ring is a phenylacetamido group. It has a role as an antibacterial drug, an epitope and a drug allergen. It is a...

---

2580. Theobromine

Link: https://3d.nih.gov/entries/3DPX-001003

Description: Theobromine is a dimethylxanthine having the two methyl groups located at positions 3 and 7. A purine alkaloid derived from the cacao plant, it is found in chocolate, as well as in a number of othe...

---

2581. trans-1,2-dimethyl-cyclohexane

Link: https://3d.nih.gov/entries/3DPX-010037

Description: No description available

---

2582. 1-Pentanol

Link: https://3d.nih.gov/entries/3DPX-001004

Description: Pentan-1-ol is an alkyl alcohol that is pentane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It has been isolated from Melicope ptelefolia. It has a role as a ...

---

2583. Trichloromethanide

Link: https://3d.nih.gov/entries/3DPX-010046

Description: No description available

---

2584. Sapropterin Dihydrochloride

Link: https://3d.nih.gov/entries/3DPX-010048

Description: Sapropterin Dihydrochloride

---

2585. Caffeine

Link: https://3d.nih.gov/entries/3DPX-001005

Description: Caffeine is a trimethylxanthine in which the three methyl groups are located at positions 1, 3, and 7. A purine alkaloid that occurs naturally in tea and coffee. It has a role as a central nervous ...

---

2586. aba

Link: https://3d.nih.gov/entries/3DPX-010051

Description: No description available

---

2587. Codeine

Link: https://3d.nih.gov/entries/3DPX-010054

Description: Codeine is a morphinane alkaloid found in the opium poppy, Papaver somniferum var. album; has analgesic, anti-tussive and anti-diarrhoeal properties. It has a role as an opioid analgesic, an antitu...

---

2588. Acetylcholine mustard

Link: https://3d.nih.gov/entries/3DPX-010063

Description: No description available

---

2589. Methane

Link: https://3d.nih.gov/entries/3DPX-010071

Description: No description available

---

2590. Testosterone

Link: https://3d.nih.gov/entries/3DPX-010077

Description: No description available

---

2591. THC molecular structure

Link: https://3d.nih.gov/entries/3DPX-010078

Description: No description available

---

2592. LewisF4

Link: https://3d.nih.gov/entries/3DPX-010080

Description: No description available

---

2593. LewisF3

Link: https://3d.nih.gov/entries/3DPX-010081

Description: No description available

---

2594. LewisF2

Link: https://3d.nih.gov/entries/3DPX-010082

Description: No description available

---

2595. 2,4,6-Tris(4-fluorophenyl)pyrylium

Link: https://3d.nih.gov/entries/3DPX-010097

Description: 2,4,6-Tris(4-fluorophenyl)pyrylium

---

2596. Pazopanib

Link: https://3d.nih.gov/entries/3DPX-010120

Description: Pazopanib is a pyrimidine that is 5-(pyrimidin-2-yl}amino-2-methylbenzenesulfonamide substituted at position 4 by a (2,3-dimethylindazol-6-yl)(methyl)amino group. Used as its hydrochloride salt for...

---

2597. Hydrocortisone acetate

Link: https://3d.nih.gov/entries/3DPX-010121

Description: Cortisol 21-acetate is a tertiary alpha-hydroxy ketone and a cortisol ester.

---

2598. Linoleic Acid

Link: https://3d.nih.gov/entries/3DPX-010122

Description: Linoleic acid is an octadecadienoic acid in which the two double bonds are at positions 9 and 12 and have Z (cis) stereochemistry. It has a role as a plant metabolite, a Daphnia galeata metabolite ...

---

2599. Estradiol

Link: https://3d.nih.gov/entries/3DPX-010123

Description: No description available

---

2600. Tamoxifen

Link: https://3d.nih.gov/entries/3DPX-010124

Description: No description available

---

2601. Switch

Link: https://3d.nih.gov/entries/3DPX-010127

Description: No description available

---

2602. (2S,3S)-1,4-Dimercaptobutane-2,3-diol

Link: https://3d.nih.gov/entries/3DPX-010128

Description: D-1,4-dithiothreitol is a 1,4-dithiothreitol. It is an enantiomer of a L-1,4-dithiothreitol.

---

2603. Flucloxacillin

Link: https://3d.nih.gov/entries/3DPX-010129

Description: Flucloxacillin is a penicillin compound having a 6beta-[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamido] side-chain. It has a role as an antibacterial drug. It is a penicillin and a ...

---

2604. Switch

Link: https://3d.nih.gov/entries/3DPX-010139

Description: No description available

---

2605. Polytwistane long

Link: https://3d.nih.gov/entries/3DPX-010148

Description: No description available

---

2606. Polytwistane no H

Link: https://3d.nih.gov/entries/3DPX-010152

Description: No description available

---

2607. 2ERX

Link: https://3d.nih.gov/entries/3DPX-010155

Description: No description available

---

2608. KP14

Link: https://3d.nih.gov/entries/3DPX-010156

Description: No description available

---

2609. UiO-66_smashmof

Link: https://3d.nih.gov/entries/3DPX-010157

Description: No description available

---

2610. UiO-66_smashmof_defect_1link_1

Link: https://3d.nih.gov/entries/3DPX-010158

Description: No description available

---

2611. UiO-66_smashmof_defect_1link_2

Link: https://3d.nih.gov/entries/3DPX-010159

Description: No description available

---

2612. UiO-66_smashmof_defect_1link_3

Link: https://3d.nih.gov/entries/3DPX-010160

Description: No description available

---

2613. UiO-66_smashmof_defect_1link_4

Link: https://3d.nih.gov/entries/3DPX-010161

Description: No description available

---

2614. UiO-66_smashmof_defect_1link_5

Link: https://3d.nih.gov/entries/3DPX-010162

Description: No description available

---

2615. UiO-67_smashmodel

Link: https://3d.nih.gov/entries/3DPX-010163

Description: No description available

---

2616. Benzo(A)pyrene

Link: https://3d.nih.gov/entries/3DPX-010170

Description: Benzo(A)pyrene

---

2617. (S,S)-Zn-ProPhenol

Link: https://3d.nih.gov/entries/3DPX-010176

Description: No description available

---

2618. Benzene

Link: https://3d.nih.gov/entries/3DPX-010177

Description: No description available

---

2619. Pentane

Link: https://3d.nih.gov/entries/3DPX-010178

Description: Pentane is a straight chain alkane consisting of 5 carbon atoms. It has a role as a non-polar solvent and a refrigerant. It is a volatile organic compound and an alkane.

---

2620. 2-Methylpentane

Link: https://3d.nih.gov/entries/3DPX-010179

Description: 2-Methylpentane is an alkane.

---

2621. cis-jasmone

Link: https://3d.nih.gov/entries/3DPX-010188

Description: cis-jasmone. Higher resolution 3D structure

---

2622. Propanethial S-oxide

Link: https://3d.nih.gov/entries/3DPX-010209

Description: Propanethial S-oxide is a thiocarbonyl compound that is propanethial in which the sulfur atom carries an oxo group. It is a lachrymatory factor found in onions. It has a role as a plant metabolite....

---

2623. Flutoprazepam

Link: https://3d.nih.gov/entries/3DPX-010225

Description: Flutoprazepam is an organic molecular entity.

---

2624. 2-Methyl-1,5-benzothiazepin-4(5H)-one

Link: https://3d.nih.gov/entries/3DPX-010226

Description: No description available

---

2625. Dibenz[a,h]acridine

Link: https://3d.nih.gov/entries/3DPX-010227

Description: Dibenz[a,h]acridine is a polycyclic heteroarene and an organonitrogen heterocyclic compound.

---

2626. Erteberel

Link: https://3d.nih.gov/entries/3DPX-010232

Description: Erteberel is an estrogen receptor beta agonist that has been used in trials studying the treatment of Benign Prostatic Hyperplasia.

---

2627. Benzyl benzoate

Link: https://3d.nih.gov/entries/3DPX-001025

Description: Benzyl benzoate is a benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia. It has a role as a ...

---

2628. SYPRO Orange

Link: https://3d.nih.gov/entries/3DPX-010251

Description: No description available

---

2629. 9-Nitro-9Z,11E-octadecadienoic acid

Link: https://3d.nih.gov/entries/3DPX-010256

Description: No description available

---

2630. CZIPN

Link: https://3d.nih.gov/entries/3DPX-010258

Description: No description available

---

2631. Hexanoic acid

Link: https://3d.nih.gov/entries/3DPX-010259

Description: Hexanoic acid is a C6, straight-chain saturated fatty acid. It has a role as a human metabolite and a plant metabolite. It is a straight-chain saturated fatty acid and a medium-chain fatty acid. It...

---

2632. Atomoxetine

Link: https://3d.nih.gov/entries/3DPX-010261

Description: Atomoxetine is a secondary amino compound having methyl and 3-(2-methylphenoxy)-3-phenylpropan-1-yl substituents. It has a role as an adrenergic uptake inhibitor, an antidepressant, a xenobiotic an...

---

2633. Carmustine

Link: https://3d.nih.gov/entries/3DPX-010264

Description: ----

---

2634. Penicillin

Link: https://3d.nih.gov/entries/3DPX-010265

Description: No description available

---

2635. Leonotinin

Link: https://3d.nih.gov/entries/3DPX-010266

Description: No description available

---

2636. TNT

Link: https://3d.nih.gov/entries/3DPX-010270

Description: No description available

---

2637. Luciferin

Link: https://3d.nih.gov/entries/3DPX-010271

Description: No description available

---

2638. Dinitride

Link: https://3d.nih.gov/entries/3DPX-010272

Description: No description available

---

2639. Diamond

Link: https://3d.nih.gov/entries/3DPX-010273

Description: No description available

---

2640. Zinc

Link: https://3d.nih.gov/entries/3DPX-010274

Description: No description available

---

2641. Lauryl Alcohol

Link: https://3d.nih.gov/entries/3DPX-010301

Description: No description available

---

2642. Methyl Laurate

Link: https://3d.nih.gov/entries/3DPX-010302

Description: No description available

---

2643. 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethanol

Link: https://3d.nih.gov/entries/3DPX-010308

Description: No description available

---

2644. Spiropyran photoisomer colourless

Link: https://3d.nih.gov/entries/3DPX-010312

Description: No description available

---

2645. Phosphate Ion

Link: https://3d.nih.gov/entries/3DPX-010315

Description: No description available

---

2646. 1,2-Dichloropropane

Link: https://3d.nih.gov/entries/3DPX-010319

Description: Rac-1,2-dichloropropane is a racemate comprising equimolar amounts of (R)- and (S)-1,2-dichloropropane. It is used as a fumigant to control nematodes in soil and insects in stored grain. It has a r...

---

2647. 1,2-Dichlorobutene

Link: https://3d.nih.gov/entries/3DPX-010323

Description: No description available

---

2648. Niguldipine

Link: https://3d.nih.gov/entries/3DPX-001034

Description: Niguldipine is a diarylmethane.

---

2649. Dibenzosuberone

Link: https://3d.nih.gov/entries/3DPX-010342

Description: No description available

---

2650. Melanin

Link: https://3d.nih.gov/entries/3DPX-010343

Description: Melanin is a member of melanins.

---

2651. 109836

Link: https://3d.nih.gov/entries/3DPX-010345

Description: No description available

---

2652. tmf

Link: https://3d.nih.gov/entries/3DPX-010346

Description: No description available

---

2653. 109836

Link: https://3d.nih.gov/entries/3DPX-010347

Description: No description available

---

2654. 211332

Link: https://3d.nih.gov/entries/3DPX-010348

Description: No description available

---

2655. Distachyasin

Link: https://3d.nih.gov/entries/3DPX-011466

Description: No description available

---

2656. Cinchonine

Link: https://3d.nih.gov/entries/3DPX-011467

Description: Cinchonine is cinchonan in which a hydrogen at position 9 is substituted by hydroxy (S configuration). It occurs in the bark of most varieties of Cinchona shrubs, and is frequently used for directi...

---

2657. Ellagic acid

Link: https://3d.nih.gov/entries/3DPX-011468

Description: Ellagic acid is an organic heterotetracyclic compound resulting from the formal dimerisation of gallic acid by oxidative aromatic coupling with intramolecular lactonisation of both carboxylic acid ...

---

2658. Carexane D

Link: https://3d.nih.gov/entries/3DPX-011469

Description: No description available

---

2659. Amfenac

Link: https://3d.nih.gov/entries/3DPX-011472

Description: No description available

---

2660. Quetiapine

Link: https://3d.nih.gov/entries/3DPX-011478

Description: No description available

---

2661. Sertraline

Link: https://3d.nih.gov/entries/3DPX-011481

Description: No description available

---

2662. Heme

Link: https://3d.nih.gov/entries/3DPX-011496

Description: No description available

---

2663. Chalcone

Link: https://3d.nih.gov/entries/3DPX-011511

Description: Chalcone is a member of the class of chalcones that is acetophenone in which one of the methyl hydrogens has been replaced by a benzylidene group. It has a role as a plant metabolite. It is a membe...

---

2664. Panduratin A

Link: https://3d.nih.gov/entries/3DPX-011514

Description: Panduratin A is a diarylheptanoid. It has a role as a metabolite.

---

2665. chlorophyll

Link: https://3d.nih.gov/entries/3DPX-011529

Description: No description available

---

2666. PCN-222

Link: https://3d.nih.gov/entries/3DPX-011543

Description: No description available

---

2667. D-Citronellol

Link: https://3d.nih.gov/entries/3DPX-011544

Description: (R)-(+)-citronellol is a citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3R-enantiomer). It is an enantiomer of a (S)-(-)-citr...

---

2668. (-)-Citronellol

Link: https://3d.nih.gov/entries/3DPX-011545

Description: (S)-(-)-citronellol is a citronellol that is oct-6-ene substituted by a hydroxy group at position 1 and methyl groups at positions 3 and 7 (the 3S-enantiomer). It is an enantiomer of a (R)-(+)-citr...

---

2669. (+)-Menthol

Link: https://3d.nih.gov/entries/3DPX-011546

Description: (+)-menthol is a p-menthan-3-ol which has (1S,2R,5S)-stereochemistry. In contrast to (-)-menthol, the (+)-enantiomer occurs only rarely in nature. It is an enantiomer of a (-)-menthol.

---

2670. (-)-beta-Pinene

Link: https://3d.nih.gov/entries/3DPX-011547

Description: (-)-beta-pinene is the (1S,5S)-enantiomer of beta-pinene. It is an enantiomer of a (+)-beta-pinene.

---

2671. (+)-beta-Pinene

Link: https://3d.nih.gov/entries/3DPX-011548

Description: (+)-beta-pinene is a beta-pinene. It is an enantiomer of a (-)-beta-pinene.

---

2672. Dexibuprofen

Link: https://3d.nih.gov/entries/3DPX-011549

Description: Dexibuprofen is an ibuprofen. It has a role as a non-narcotic analgesic and a non-steroidal anti-inflammatory drug. It is an enantiomer of a levibuprofen.

---

2673. Sotagliflozin

Link: https://3d.nih.gov/entries/3DPX-011560

Description: No description available

---

2674. Leu-Cys

Link: https://3d.nih.gov/entries/3DPX-011564

Description: No description available

---

2675. SLC26A5

Link: https://3d.nih.gov/entries/3DPX-011586

Description: No description available

---

2676. PCN-222 linker

Link: https://3d.nih.gov/entries/3DPX-011591

Description: No description available

---

2677. OSW1

Link: https://3d.nih.gov/entries/3DPX-011596

Description: No description available

---

2678. RAL

Link: https://3d.nih.gov/entries/3DPX-011597

Description: No description available

---

2679. GENISTEIN PUBCHEM

Link: https://3d.nih.gov/entries/3DPX-011599

Description: No description available

---

2680. GENISTEIN

Link: https://3d.nih.gov/entries/3DPX-011600

Description: No description available

---

2681. GEN

Link: https://3d.nih.gov/entries/3DPX-011601

Description: No description available

---

2682. GENISTEIN pdb

Link: https://3d.nih.gov/entries/3DPX-011602

Description: No description available

---

2683. GENISTEIN 2

Link: https://3d.nih.gov/entries/3DPX-011603

Description: No description available

---

2684. f

Link: https://3d.nih.gov/entries/3DPX-011604

Description: No description available

---

2685. E4D

Link: https://3d.nih.gov/entries/3DPX-011605

Description: No description available

---

2686. E4D PUBCHEM

Link: https://3d.nih.gov/entries/3DPX-011606

Description: No description available

---

2687. RALOXIFENE PDB

Link: https://3d.nih.gov/entries/3DPX-011607

Description: No description available

---

2688. RAL PUBCHEM

Link: https://3d.nih.gov/entries/3DPX-011608

Description: No description available

---

2689. Dibenzyl malonate

Link: https://3d.nih.gov/entries/3DPX-011631

Description: No description available

---

2690. Diethyltoluamide

Link: https://3d.nih.gov/entries/3DPX-011632

Description: N,N-diethyl-m-toluamide is a monocarboxylic acid amide resulting from the formal condensation of the carboxy group of m-toluic acid with the nitrogen of diethylamine. First developed by the U.S. Ar...

---

2691. 2-Propanamine, 2-methyl-N-(phenylmethylene)-, N-oxide

Link: https://3d.nih.gov/entries/3DPX-011633

Description: No description available

---

2692. Dibenzyl sulfoxide

Link: https://3d.nih.gov/entries/3DPX-011634

Description: No description available

---

2693. Diphenylamine

Link: https://3d.nih.gov/entries/3DPX-011635

Description: Diphenylamine is an aromatic amine containing two phenyl substituents. It has been used as a fungicide for the treatment of superficial scald in apples and pears, but is no longer approved for this...

---

2694. Tetranitrogen tetrasulfide

Link: https://3d.nih.gov/entries/3DPX-011636

Description: No description available

---

2695. 1,4-Bis(trichloromethyl)benzene

Link: https://3d.nih.gov/entries/3DPX-011637

Description: No description available

---

2696. Furan-2,5-dicarbaldehyde

Link: https://3d.nih.gov/entries/3DPX-011638

Description: 2,5-diformylfuran is a member of the class of furans carrying two formyl substituents at positions 2 and 5. It is a member of furans, an arenecarbaldehyde and a dialdehyde.

---

2697. Dichlofluanid

Link: https://3d.nih.gov/entries/3DPX-011639

Description: Dichlofluanid is a member of the class of sulfamides that is sulfamide in which the hydrogens attached to one of the nitrogens are replaced by methyl groups, while those attached to the other nitro...

---

2698. Benzyl 4-hydroxybenzoate

Link: https://3d.nih.gov/entries/3DPX-011641

Description: Benzyl parahydroxybenzoate is a benzoate ester and a benzyl ester.

---

2699. 2d

Link: https://3d.nih.gov/entries/3DPX-011653

Description: No description available

---

2700. D-Glucosaminide

Link: https://3d.nih.gov/entries/3DPX-011655

Description: D-glucosaminide is a hexosaminide. It has a role as a mouse metabolite.

---

2701. (1R,2R,4S)-2-(6-Chloropyridin-3-yl)-7-azabicyclo[2.2.1]heptane

Link: https://3d.nih.gov/entries/3DPX-011660

Description: No description available

---

2702. Firefly luciferin

Link: https://3d.nih.gov/entries/3DPX-011661

Description: Photinus luciferin is a 1,3-thiazolemonocarboxylic acid consisting of 3,5-dihydrothiophene-4-carboxylic acid having a 6-hydroxybenzothiazol-2-yl group at the 2-position. It has a role as a luciferi...

---

2703. FnCNT

Link: https://3d.nih.gov/entries/3DPX-011664

Description: No description available

---

2704. patellin-2

Link: https://3d.nih.gov/entries/3DPX-011681

Description: No description available

---

2705. Chitin octamer Rotamer 1

Link: https://3d.nih.gov/entries/3DPX-011688

Description: No description available

---

2706. Cholecalciferol

Link: https://3d.nih.gov/entries/3DPX-011698

Description: Calciol is a hydroxy seco-steroid that is (5Z,7E)-9,10-secocholesta-5,7,10(19)-triene in which the pro-S hydrogen at position 3 has been replaced by a hydroxy group. It is the inactive form of vita...

---

2707. Gramicidin A Dimer Channel

Link: https://3d.nih.gov/entries/3DPX-011725

Description: Gramicidin A dimer channel

---

2708. Test1

Link: https://3d.nih.gov/entries/3DPX-011730

Description: No description available

---

2709. D-Galactosamine

Link: https://3d.nih.gov/entries/3DPX-011739

Description: 2-amino-2-deoxy-D-galactopyranose is the pyranose form of D-galactosamine. It has a role as a toxin. It is a D-galactosamine and a primary amino compound. It is functionally related to a D-galactop...

---

2710. 2-Methylpyrazine

Link: https://3d.nih.gov/entries/3DPX-011740

Description: Methylpyrazine is a member of the class of pyrazines that is pyrazine in which one of the hydrogens is replaced by a methyl group. It is a flavouring agent found in coffee, peanuts and red peppers....

---

2711. Dimethylpropiothetin

Link: https://3d.nih.gov/entries/3DPX-011741

Description: S,S-dimethyl-beta-propiothetin is a sulfonium betaine obtained by deprotonation of the carboxy group of 3-dimethylsulfoniopropionic acid. It has a role as an osmolyte and a marine metabolite.

---

2712. Nerol

Link: https://3d.nih.gov/entries/3DPX-011742

Description: Nerol is the (2Z)-stereoisomer of 3,7-dimethylocta-2,6-dien-1-ol. It has been isolated from the essential oils from plants like lemon grass. It has a role as a volatile oil component, a plant metab...

---

2713. florhydrale

Link: https://3d.nih.gov/entries/3DPX-011743

Description: odeur de muguet, jacinthe (-)-(R)-3-(3-Isopropyl-phenyl)-butyraldehyde

---

2714. (R)-Roemerine

Link: https://3d.nih.gov/entries/3DPX-011744

Description: (R)-Roemerine is an isoquinoline alkaloid.

---

2715. Ibuprofen ligand from the 4PH9 COX-ibuprofen complex

Link: https://3d.nih.gov/entries/3DPX-011755

Description: The ibuprofen ligand extracted from the 4PH9 complex.

---

2716. flavin mononucleotide

Link: https://3d.nih.gov/entries/3DPX-011756

Description: No description available

---

2717. Glucose 6-phosphate

Link: https://3d.nih.gov/entries/3DPX-011764

Description: D-glucopyranose 6-phosphate is a glucopyranose ring with a phosphate replacing the hydroxy in the hydroxymethyl group at position 6. It is a D-glucose 6-phosphate and a D-hexopyranose 6-phosphate. ...

---

2718. alpha-D-Glucose-6-phosphate

Link: https://3d.nih.gov/entries/3DPX-011765

Description: Alpha-D-glucose 6-phosphate is a D-glucopyranose 6-phosphate where alpha-D-glucose is the sugar component. It has a role as a mouse metabolite. It derives from an alpha-D-glucose. It is a conjugate...

---

2719. 6-O-Phosphono-alpha-D-Fructofuranose

Link: https://3d.nih.gov/entries/3DPX-011766

Description: No description available

---

2720. 1,6-di-O-phosphono-beta-D-fructofuranose

Link: https://3d.nih.gov/entries/3DPX-011767

Description: Beta-D-fructofuranose 1,6-bisphosphate is a D-fructofuranose 1,6-bisphosphate with a beta-configuration at the anomeric position. It has a role as a mouse metabolite. It is functionally related to ...

---

2721. Fructose-6-phosphate

Link: https://3d.nih.gov/entries/3DPX-011768

Description: Keto-D-fructose 6-phosphate is the open chain form of D-fructose 6-phosphate. It is functionally related to a D-fructose. It is a conjugate acid of a D-fructose 6-phosphate(2-).

---

2722. beta-D-Fructose 6-phosphate

Link: https://3d.nih.gov/entries/3DPX-011769

Description: Beta-D-fructofuranose 6-phosphate is a D-fructofuranose 6-phosphate with a beta-configuration at the anomeric position. It has a role as a mouse metabolite. It is functionally related to a beta-D-f...

---

2723. Glyceraldehyde-3-phosphate

Link: https://3d.nih.gov/entries/3DPX-011770

Description: D-glyceraldehyde 3-phosphate is a glyceraldehyde 3-phosphate. It has a role as a mouse metabolite. It is functionally related to a D-glyceraldehyde. It is a conjugate acid of a D-glyceraldehyde 3-p...

---

2724. DHAP

Link: https://3d.nih.gov/entries/3DPX-011771

Description: No description available

---

2725. 13BPG

Link: https://3d.nih.gov/entries/3DPX-011772

Description: No description available

---

2726. 3PG

Link: https://3d.nih.gov/entries/3DPX-011773

Description: No description available

---

2727. PEP

Link: https://3d.nih.gov/entries/3DPX-011774

Description: No description available

---

2728. PYR

Link: https://3d.nih.gov/entries/3DPX-011775

Description: No description available

---

2729. eucalyptol

Link: https://3d.nih.gov/entries/3DPX-011779

Description: Molecule d'eucalyptol le nom dans la nomenclature : 1,8-cinéol nom : 1,3,3-triméthyl-2-oxabicyclo[2,2,2]octane

---

2730. iso-e-super

Link: https://3d.nih.gov/entries/3DPX-011789

Description: No description available

---

2731. Ethyl methyl sulfide

Link: https://3d.nih.gov/entries/3DPX-001179

Description: No description available

---

2732. GS_10078

Link: https://3d.nih.gov/entries/3DPX-011790

Description: No description available

---

2733. Yersiniabactin

Link: https://3d.nih.gov/entries/3DPX-011799

Description: No description available

---

2734. yersiniabactin_noH

Link: https://3d.nih.gov/entries/3DPX-011801

Description: No description available

---

2735. Chitin octamer FAIL

Link: https://3d.nih.gov/entries/3DPX-011803

Description: No description available

---

2736. Chitin octamer Rotamer 3

Link: https://3d.nih.gov/entries/3DPX-011820

Description: No description available

---

2737. Chitin octamer Rotamer 2

Link: https://3d.nih.gov/entries/3DPX-011821

Description: No description available

---

2738. Chitin Octamer Rotamer 1 not bold

Link: https://3d.nih.gov/entries/3DPX-011826

Description: No description available

---

2739. Chitin Octamer Rotamer 5 not bold

Link: https://3d.nih.gov/entries/3DPX-011827

Description: No description available

---

2740. Chitin Octamer Rotamer 7 not bold

Link: https://3d.nih.gov/entries/3DPX-011828

Description: No description available

---

2741. Chitin Octamer 8 not bold

Link: https://3d.nih.gov/entries/3DPX-011829

Description: No description available

---

2742. 1,1'-Bi-2-naphthol

Link: https://3d.nih.gov/entries/3DPX-011842

Description: (S)-(-)-1,1'-Bi-2-naphthol is a member of naphthols.

---

2743. NMN

Link: https://3d.nih.gov/entries/3DPX-011847

Description: No description available

---

2744. Adenosine-5'-triphosphate

Link: https://3d.nih.gov/entries/3DPX-001186

Description: ATP is an adenosine 5'-phosphate in which the 5'-phosphate is a triphosphate group. It is involved in the transportation of chemical energy during metabolic pathways. It has a role as a nutraceutic...

---

2745. Glucose

Link: https://3d.nih.gov/entries/3DPX-011871

Description: No description available

---

2746. amylopectin

Link: https://3d.nih.gov/entries/3DPX-011872

Description: No description available

---

2747. Phenylalanine

Link: https://3d.nih.gov/entries/3DPX-011874

Description: No description available

---

2748. Phenylalanine hydroxylase

Link: https://3d.nih.gov/entries/3DPX-011875

Description: No description available

---

2749. Borna's sugar

Link: https://3d.nih.gov/entries/3DPX-011881

Description: No description available

---

2750. pamam g3

Link: https://3d.nih.gov/entries/3DPX-011886

Description: No description available

---

2751. beta-cyclodextrin

Link: https://3d.nih.gov/entries/3DPX-011889

Description: No description available

---

2752. D+glyceraldehyde

Link: https://3d.nih.gov/entries/3DPX-011893

Description: No description available

---

2753. Ethyl Myristate

Link: https://3d.nih.gov/entries/3DPX-011903

Description: No description available

---

2754. S-adenosylmethionine

Link: https://3d.nih.gov/entries/3DPX-011913

Description: S-adenosyl-L-methioninate is a sulfonium betaine that is a conjugate base of S-adenosyl-L-methionine obtained by the deprotonation of the carboxy group. It has a role as a human metabolite. It is f...

---

2755. 3d

Link: https://3d.nih.gov/entries/3DPX-011915

Description: No description available

---

2756. Vamorolone

Link: https://3d.nih.gov/entries/3DPX-011925

Description: No description available

---

2757. Decanoic Acid

Link: https://3d.nih.gov/entries/3DPX-011937

Description: No description available

---

2758. pentane

Link: https://3d.nih.gov/entries/3DPX-011955

Description: No description available

---

2759. Winning Image

Link: https://3d.nih.gov/entries/3DPX-011959

Description: Dancing Man

---

2760. DOTA

Link: https://3d.nih.gov/entries/3DPX-011960

Description: Losing Image

---

2761. alpha-amyrin

Link: https://3d.nih.gov/entries/3DPX-011962

Description: No description available

---

2762. 1-Pyrenemethyl methacrylate

Link: https://3d.nih.gov/entries/3DPX-011965

Description: 1-Pyrenemethyl methacrylate

---

2763. Yang_3.65_3Dprint

Link: https://3d.nih.gov/entries/3DPX-011966

Description: No description available

---

2764. Somu_Dhulipala_3D_Print

Link: https://3d.nih.gov/entries/3DPX-011967

Description: No description available

---

2765. MAP-365-3DPrint

Link: https://3d.nih.gov/entries/3DPX-011968

Description: No description available

---

2766. Cecile

Link: https://3d.nih.gov/entries/3DPX-011969

Description: No description available

---

2767. Bimatoprost

Link: https://3d.nih.gov/entries/3DPX-001197

Description: Bimatoprost is a monocarboxylic acid amide. It has a role as an antiglaucoma drug and an antihypertensive agent.

---

2768. test

Link: https://3d.nih.gov/entries/3DPX-011970

Description: No description available

---

2769. Vancomycine

Link: https://3d.nih.gov/entries/3DPX-011971

Description: No description available

---

2770. Fusidic Acid

Link: https://3d.nih.gov/entries/3DPX-011972

Description: No description available

---

2771. tBu-ABABA-TAH

Link: https://3d.nih.gov/entries/3DPX-011974

Description: No description available

---

2772. 3-Nitropentane

Link: https://3d.nih.gov/entries/3DPX-001198

Description: No description available

---

2773. Amikacin

Link: https://3d.nih.gov/entries/3DPX-011983

Description: Amikacin is an amino cyclitol glycoside that is kanamycin A acylated at the N-1 position by a 4-amino-2-hydroxybutyryl group. It has a role as an antimicrobial agent, an antibacterial drug and a ne...

---

2774. Gentamicin

Link: https://3d.nih.gov/entries/3DPX-011984

Description: No description available

---

2775. [2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Link: https://3d.nih.gov/entries/3DPX-013155

Description: No description available

---

2776. Nadide

Link: https://3d.nih.gov/entries/3DPX-013170

Description: NAD zwitterion is a NAD. It has a role as a geroprotector. It is functionally related to a deamido-NAD zwitterion. It is a conjugate base of a NAD(+).

---

2777. (2H4)Ethylene

Link: https://3d.nih.gov/entries/3DPX-013193

Description: No description available

---

2778. D9THC

Link: https://3d.nih.gov/entries/3DPX-013194

Description: THC

---

2779. GlcNAC

Link: https://3d.nih.gov/entries/3DPX-013293

Description: 6SU8 First Glycosylation

---

2780. GlcNAC 2

Link: https://3d.nih.gov/entries/3DPX-013294

Description: 6SU8 Glycosylation 2

---

2781. GlcNAC

Link: https://3d.nih.gov/entries/3DPX-013295

Description: 6SU8 Third Glycosylation

---

2782. GlcNAC

Link: https://3d.nih.gov/entries/3DPX-013296

Description: 6SU8 Fourth Glycosylation

---

2783. GlcNAC

Link: https://3d.nih.gov/entries/3DPX-013297

Description: 6SU8 Fifth Glycosylation

---

2784. 4-Hydroxybenzyl alcohol

Link: https://3d.nih.gov/entries/3DPX-001330

Description: P-hydroxybenzyl alcohol is a member of the class of benzyl alcohols that is benzyl alcohol substituted by a hydroxy group at position 4. It has been isolated from Arcangelisia gusanlung. It has a r...

---

2785. Androsta-4,16-dien-3-one

Link: https://3d.nih.gov/entries/3DPX-013339

Description: No description available

---

2786. Benzoic Acid

Link: https://3d.nih.gov/entries/3DPX-001335

Description: Benzoic acid is a compound comprising a benzene ring core carrying a carboxylic acid substituent. It has a role as an antimicrobial food preservative, an EC 3.1.1.3 (triacylglycerol lipase) inhibit...

---

2787. Cocaine

Link: https://3d.nih.gov/entries/3DPX-001340

Description: No description available

---

2788. 3dCoc

Link: https://3d.nih.gov/entries/3DPX-001341

Description: No description available

---

2789. 21,22,23,24-Tetrahydroporphyrin-5-ol

Link: https://3d.nih.gov/entries/3DPX-001434

Description: No description available

---

2790. 2(1H)-Pyridinone, 3-amino-6-hydroxy-

Link: https://3d.nih.gov/entries/3DPX-014361

Description: No description available

---

2791. Methyl 2-cyanoacrylate

Link: https://3d.nih.gov/entries/3DPX-014362

Description: Methyl 2-cyanoacrylate is a clear slightly yellow liquid. (NTP, 1992)

---

2792. Levetiracetam

Link: https://3d.nih.gov/entries/3DPX-014363

Description: Levetiracetam is a pyrrolidinone and carboxamide that is N-methylpyrrolidin-2-one in which one of the methyl hydrogens is replaced by an aminocarbonyl group, while another is replaced by an ethyl g...

---

2793. Olaparib

Link: https://3d.nih.gov/entries/3DPX-014369

Description: Olaparib is a member of the class of N-acylpiperazines obtained by formal condensation of the carboxy group of 2-fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid with the free amino ...

---

2794. Carbanicotinamide adenine dinucleotide

Link: https://3d.nih.gov/entries/3DPX-014372

Description: No description available

---

2795. (2S)-2,6-diamino-N-[(2R)-1,1,1-trideuterio-3-phenylpropan-2-yl]hexanamide

Link: https://3d.nih.gov/entries/3DPX-001438

Description: No description available

---

2796. Filgotinib

Link: https://3d.nih.gov/entries/3DPX-014380

Description: Filgotinib is under investigation in clinical trial NCT03100942 (Safety and Efficacy Study of Filgotinib, Lanraplenib and Tirabrutinib in Adults With Active Sjogren's Syndrome).

---

2797. Hydroxychloroquine

Link: https://3d.nih.gov/entries/3DPX-014382

Description: Hydroxychloroquine is an aminoquinoline that is chloroquine in which one of the N-ethyl groups is hydroxylated at position 2. An antimalarial with properties similar to chloroquine that acts agains...

---

2798. Moebius Voegtle Belt

Link: https://3d.nih.gov/entries/3DPX-014384

Description: Moebius Voegtle Belt

---

2799. 19-Episuberitenone

Link: https://3d.nih.gov/entries/3DPX-014389

Description: No description available

---

2800. Dextroamphetamine

Link: https://3d.nih.gov/entries/3DPX-001439

Description: (S)-amphetamine is a 1-phenylpropan-2-amine that has S configuration. It has a role as a neurotoxin, an adrenergic uptake inhibitor, a dopaminergic agent, a sympathomimetic agent, a dopamine uptake...

---

2801. Methotrexate

Link: https://3d.nih.gov/entries/3DPX-001440

Description: Methotrexate is a member of pteridines, a monocarboxylic acid amide and a dicarboxylic acid. It has a role as an antineoplastic agent, an antirheumatic drug, an EC 1.5.1.3 (dihydrofolate reductase)...

---

2802. CID 2022

Link: https://3d.nih.gov/entries/3DPX-001441

Description: A GUANOSINE analog that acts as an antimetabolite. Viruses are especially susceptible. Used especially against herpes.

---

2803. Cholic acid

Link: https://3d.nih.gov/entries/3DPX-014415

Description: Cholic acid is a bile acid that is 5beta-cholan-24-oic acid bearing three alpha-hydroxy substituents at position 3, 7 and 12. It has a role as a human metabolite and a mouse metabolite. It is a bil...

---

2804. 1-[(2R,3S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide

Link: https://3d.nih.gov/entries/3DPX-001442

Description: A nucleoside antimetabolite antiviral agent that blocks nucleic acid synthesis and is used against both RNA and DNA viruses. [PubChem]

---

2805. Iron Oxide Black

Link: https://3d.nih.gov/entries/3DPX-014430

Description: Iron Oxide Black molecule

---

2806. prostaglandin D2

Link: https://3d.nih.gov/entries/3DPX-001444

Description: Prostaglandin D2 is a member of the class of prostaglandins D that is prosta-5,13-dien-1-oic acid substituted by hydroxy groups at positions 9 and 15 and an oxo group at position 11 (the 5Z,9alpha,...

---

2807. Fibrin

Link: https://3d.nih.gov/entries/3DPX-014449

Description: Fibrin is a peptide.

---

2808. CID 57284390

Link: https://3d.nih.gov/entries/3DPX-001445

Description: No description available

---

2809. Retinol

Link: https://3d.nih.gov/entries/3DPX-001448

Description: All-trans-retinol is a retinol in which all four exocyclic double bonds have E- (trans-) geometry. It has a role as a human metabolite, a mouse metabolite and a plant metabolite. It is a retinol an...

---

2810. Remdesivir

Link: https://3d.nih.gov/entries/3DPX-014482

Description: Remdesivir is a carboxylic ester resulting from the formal condensation of the carboxy group of N-[(S)-{[(2R,3S,4R,5R)-5-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-dihydroxytetrahydrofu...

---

2811. AICA ribonucleotide

Link: https://3d.nih.gov/entries/3DPX-014483

Description: AICA ribonucleotide is a 1-(phosphoribosyl)imidazolecarboxamide that is acadesine in which the hydroxy group at the 5' position has been converted to its monophosphate derivative. It has a role as ...

---

2812. Saicar

Link: https://3d.nih.gov/entries/3DPX-014484

Description: SAICAR is a 1-(phosphoribosyl)imidazolecarboxamide resulting from the formal condesation of the darboxy group of 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid with t...

---

2813. Nicotinamide

Link: https://3d.nih.gov/entries/3DPX-001449

Description: Nicotinamide is a pyridinecarboxamide that is pyridine in which the hydrogen at position 3 is replaced by a carboxamide group. It has a role as an EC 2.4.2.30 (NAD(+) ADP-ribosyltransferase) inhibi...

---

2814. CID 6037

Link: https://3d.nih.gov/entries/3DPX-001450

Description: A member of the vitamin B family that stimulates the hematopoietic system. It is present in the liver and kidney and is found in mushrooms, spinach, yeast, green leaves, and grasses (POACEAE). Foli...

---

2815. Biotin

Link: https://3d.nih.gov/entries/3DPX-001451

Description: Biotin is an organic heterobicyclic compound that consists of 2-oxohexahydro-1H-thieno[3,4-d]imidazole having a valeric acid substituent attached to the tetrahydrothiophene ring. The parent of the ...

---

2816. Vitamin K1 2,3-epoxide

Link: https://3d.nih.gov/entries/3DPX-001452

Description: No description available

---

2817. BCP bpin newer

Link: https://3d.nih.gov/entries/3DPX-015983

Description: No description available

---

2818. 1,1-Diethoxyethane

Link: https://3d.nih.gov/entries/3DPX-016005

Description: 1,1-Diethoxyethane is an acetal.

---

2819. Nafion

Link: https://3d.nih.gov/entries/3DPX-016007

Description: Molecule in the Nafion PFSA ionomer

---

2820. DELTA8-Tetrahydrocannabinol

Link: https://3d.nih.gov/entries/3DPX-016035

Description: Delta8-THC is a 1-benzopyran.

---

2821. n-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}propanamide

Link: https://3d.nih.gov/entries/3DPX-016051

Description: No description available

---

2822. Armodafinil

Link: https://3d.nih.gov/entries/3DPX-016059

Description: Armodafinil is a 2-[(diphenylmethyl)sulfinyl]acetamide that has R configuration at the sulfur atom. Like its racemate, modafinil, it is used for the treatment of sleeping disorders such as narcolep...

---

2823. Q7 test 2

Link: https://3d.nih.gov/entries/3DPX-016062

Description: No description available

---

2824. N,N-Dimethylformamide

Link: https://3d.nih.gov/entries/3DPX-016068

Description: N,N-dimethylformamide is a member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. It has a role as a polar aprotic solvent, a hepatotoxic ag...

---

2825. Chlorine azide

Link: https://3d.nih.gov/entries/3DPX-016069

Description: No description available

---

2826. Picric acid

Link: https://3d.nih.gov/entries/3DPX-016070

Description: Picric acid is a C-nitro compound comprising phenol having three nitro substtituents at the 2-, 4- and 6-positions. It has a role as an explosive, an antiseptic drug and a fixative. It is functiona...

---

2827. 5-Hydroxymethylcytidine

Link: https://3d.nih.gov/entries/3DPX-016071

Description: 5-Hydroxymethylcytidine is a pyrimidine nucleoside.

---

2828. Bergamotene

Link: https://3d.nih.gov/entries/3DPX-016084

Description: No description available

---

2829. Terephthalic acid

Link: https://3d.nih.gov/entries/3DPX-016094

Description: No description available

---

2830. 2-Bromo terephthalic acid

Link: https://3d.nih.gov/entries/3DPX-016095

Description: No description available

---

2831. 1H-pyrazole-3,5-dicarboxylate

Link: https://3d.nih.gov/entries/3DPX-016096

Description: No description available

---

2832. 2-amino terephthalic acid

Link: https://3d.nih.gov/entries/3DPX-016097

Description: No description available

---

2833. 2,4-furandicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-016098

Description: No description available

---

2834. 1H-pyrrole-2,5-dicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-016099

Description: No description available

---

2835. Deazaflavin

Link: https://3d.nih.gov/entries/3DPX-016109

Description: Deazaflavin is a pyridopyrimidine.

---

2836. Adenine with R

Link: https://3d.nih.gov/entries/3DPX-016123

Description: No description available

---

2837. Phorbol

Link: https://3d.nih.gov/entries/3DPX-016135

Description: Phorbol is a white solid. (NTP, 1992)

---

2838. Cafeïna

Link: https://3d.nih.gov/entries/3DPX-016143

Description: No description available

---

2839. Butyl o-benzoylbenzoate

Link: https://3d.nih.gov/entries/3DPX-016149

Description: No description available

---

2840. Carbon Nano Tube _ 7,0,13

Link: https://3d.nih.gov/entries/3DPX-016150

Description: No description available

---

2841. Prochlorperazine

Link: https://3d.nih.gov/entries/3DPX-016159

Description: Prochlorperazine is a member of the class of phenothiazines that is 10H-phenothiazine having a chloro substituent at the 2-position and a 3-(4-methylpiperazin-1-yl)propyl group at the N-10 position...

---

2842. 3-(Aminomethyl)-5-methylhexanoic acid

Link: https://3d.nih.gov/entries/3DPX-016160

Description: A gamma-aminobutyric acid (GABA) derivative that functions as a CALCIUM CHANNEL BLOCKER and is used as an ANTICONVULSANT as well as an ANTI-ANXIETY AGENT. It is also used as an ANALGESIC in the tre...

---

2843. Ethyl 2-butyramido-3,3,3-trifluoro-2-[4-(trifluoromethyl)anilino]propionate

Link: https://3d.nih.gov/entries/3DPX-016164

Description: No description available

---

2844. 4-amino-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one

Link: https://3d.nih.gov/entries/3DPX-016173

Description: No description available

---

2845. Arachidonic acid

Link: https://3d.nih.gov/entries/3DPX-016177

Description: Arachidonic acid is a long-chain fatty acid that is a C20, polyunsaturated fatty acid having four (Z)-double bonds at positions 5, 8, 11 and 14. It has a role as a human metabolite, an EC 3.1.1.1 (...

---

2846. DNA

Link: https://3d.nih.gov/entries/3DPX-016178

Description: No description available

---

2847. 1skw_DNA_test

Link: https://3d.nih.gov/entries/3DPX-016179

Description: No description available

---

2848. Methotrexate Analog X1A

Link: https://3d.nih.gov/entries/3DPX-016185

Description: No description available

---

2849. Methotrexate Analog X1B

Link: https://3d.nih.gov/entries/3DPX-016186

Description: No description available

---

2850. Methotrexate Analog X1C

Link: https://3d.nih.gov/entries/3DPX-016187

Description: No description available

---

2851. Methotrexate Analog X1D

Link: https://3d.nih.gov/entries/3DPX-016188

Description: No description available

---

2852. Methotrexate Analog X1E

Link: https://3d.nih.gov/entries/3DPX-016189

Description: No description available

---

2853. 3-(Trimethoxysilyl)propyl methacrylate

Link: https://3d.nih.gov/entries/3DPX-016210

Description: No description available

---

2854. Ozone

Link: https://3d.nih.gov/entries/3DPX-016222

Description: Ozone is an elemental molecule with formula O3. An explosive, pale blue gas (b.p. -112###) that has a characteristic, pleasant odour, it is continuously produced in the upper atmosphere by the acti...

---

2855. sulfur hexafluoride

Link: https://3d.nih.gov/entries/3DPX-016235

Description: No description available

---

2856. arsenic pentafluoride

Link: https://3d.nih.gov/entries/3DPX-016237

Description: No description available

---

2857. Geodin

Link: https://3d.nih.gov/entries/3DPX-001624

Description: No description available

---

2858. Geosmin

Link: https://3d.nih.gov/entries/3DPX-001626

Description: (-)-geosmin is the (-)-stereoisomer of geosmin, having 4S,4aS,8aR configuration. It is an enantiomer of a (+)-geosmin.

---

2859. Ascaulitoxin

Link: https://3d.nih.gov/entries/3DPX-016261

Description: No description available

---

2860. 3-Chloro-4-[(dimethylamino)methyl]-2-phenyl-1-benzofuran-5-ol

Link: https://3d.nih.gov/entries/3DPX-016262

Description: No description available

---

2861. 3-[18-(2-carboxyethyl)-3,7,12,17-tetramethyl-8,13-bis[(1S)-1-sulfanylethyl]-22,23-dihydroporphyrin-2-yl]propanoic acid

Link: https://3d.nih.gov/entries/3DPX-016263

Description: No description available

---

2862. (-)-Lentiginosine

Link: https://3d.nih.gov/entries/3DPX-016266

Description: No description available

---

2863. 2-(5-methyl-1-tosyl-2,3,4,4a-tetrahydro-1H-cyclopenta[b]pyridin-7-yl)-1-phenylethan-1-ol

Link: https://3d.nih.gov/entries/3DPX-016269

Description: No description available

---

2864. Carbon Tetrachloride

Link: https://3d.nih.gov/entries/3DPX-016273

Description: Tetrachloromethane is a chlorocarbon that is methane in which all the hydrogens have been replaced by chloro groups. It has a role as a refrigerant and a hepatotoxic agent. It is a chlorocarbon and...

---

2865. carbon dioxide

Link: https://3d.nih.gov/entries/3DPX-016275

Description: No description available

---

2866. phosphorus pentachloride

Link: https://3d.nih.gov/entries/3DPX-016277

Description: No description available

---

2867. Heme

Link: https://3d.nih.gov/entries/3DPX-001628

Description: Heme isolated from Myoglobin (pdb file 1MBN)

---

2868. SbF5

Link: https://3d.nih.gov/entries/3DPX-016285

Description: No description available

---

2869. 4,5-Dimethyl-2-(1-phenylethyl)-1,3-dioxolane

Link: https://3d.nih.gov/entries/3DPX-016290

Description: No description available

---

2870. 1-(2-(2,2,4-Trimethyl-1-pyrrolidinyl)ethyl)-1,3-dihydro-3,5,7-trimethyl-2H-azepin-2-one

Link: https://3d.nih.gov/entries/3DPX-016291

Description: No description available

---

2871. 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid

Link: https://3d.nih.gov/entries/3DPX-005221

Description: 3-(4-oxo-4,5-dihydro-1H-imidazol-5-yl)propanoic acid is an imidazol-4-one having a 2-carboxyethyl substituent at the 5-position. It has a role as a mouse metabolite. It is an imidazolone and a mono...

---

2872. 4-Methylpentanal

Link: https://3d.nih.gov/entries/3DPX-005222

Description: 4-methylpentanal is an alpha-CH2-containing aldehyde. It has a role as a human metabolite and a mouse metabolite.

---

2873. 2-Hydroxy-4-oxobutane-1,2,4-tricarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005223

Description: 2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid is a tricarboxylic acid that is the 2-oxo derivative of homocitric acid. It is functionally related to a homocitric acid. It is a conjugate acid of a ...

---

2874. 3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoic acid

Link: https://3d.nih.gov/entries/3DPX-005224

Description: No description available

---

2875. 2-[3-[(2-Hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoic acid

Link: https://3d.nih.gov/entries/3DPX-005225

Description: No description available

---

2876. 4-Trimethylammoniobutanal

Link: https://3d.nih.gov/entries/3DPX-005226

Description: 4-trimethylammoniobutanal is a member of butanals. It has a role as a mouse metabolite and a human metabolite.

---

2877. 4-Trimethylammoniobutanoate

Link: https://3d.nih.gov/entries/3DPX-005227

Description: 4-(trimethylammonio)butanoic acid is a quaternary ammonium ion that is the conjugate acid of 4-(trimethylammonio)butanoate. It has a role as a human metabolite, an Escherichia coli metabolite and a...

---

2878. 4-Hydroxybenzoic acid

Link: https://3d.nih.gov/entries/3DPX-005228

Description: 4-hydroxybenzoic acid is a monohydroxybenzoic acid that is benzoic acid carrying a hydroxy substituent at C-4 of the benzene ring. It has a role as a plant metabolite and an algal metabolite. It is...

---

2879. CID 136

Link: https://3d.nih.gov/entries/3DPX-005229

Description: No description available

---

2880. Aminolevulinic acid

Link: https://3d.nih.gov/entries/3DPX-005230

Description: 5-aminolevulinic acid is the simplest delta-amino acid in which the hydrogens at the gamma position are replaced by an oxo group. It is metabolised to protoporphyrin IX, a photoactive compound whic...

---

2881. 5-Aminovaleric acid

Link: https://3d.nih.gov/entries/3DPX-005231

Description: 5-aminopentanoic acid is a delta-amino acid comprising pentanoic acid with an amino substituent at C-5; a methylene homologue of gamma-aminobutyric acid (GABA) that is a weak GABA agonist. It has a...

---

2882. CID 143

Link: https://3d.nih.gov/entries/3DPX-005232

Description: The active metabolite of folic acid. Leucovorin is used principally as its calcium salt as an antidote to folic acid antagonists which block the conversion of folic acid to folinic acid. [PubChem]

---

2883. 2,3-Dihydroxy-5-oxohexanedioic acid

Link: https://3d.nih.gov/entries/3DPX-005233

Description: No description available

---

2884. CID 146

Link: https://3d.nih.gov/entries/3DPX-005234

Description: 5-Methyltetrahydrofolate is a methylated derivate of tetrahydrofolate. It is generated by methylenetetrahydrofolate reductase from 5,10-methylenetetrahydrofolate and used to recycle homocysteine ba...

---

2885. beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio-

Link: https://3d.nih.gov/entries/3DPX-005235

Description: Beta-D-Ribofuranose, 1-(6-amino-9H-purin-9-yl)-1-deoxy-5-S-methyl-5-thio- is a nucleobase-containing molecular entity.

---

2886. (5-Amino-3,4-dihydroxyoxolan-2-yl)methyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005236

Description: No description available

---

2887. [5-[(2-Formamidoacetyl)amino]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005237

Description: No description available

---

2888. n-Glycyl-5-o-phosphonopentofuranosylamine

Link: https://3d.nih.gov/entries/3DPX-005238

Description: No description available

---

2889. 1-(5-o-Phosphonopentofuranosyl)-1h-imidazol-5-amine

Link: https://3d.nih.gov/entries/3DPX-005239

Description: No description available

---

2890. CID 154

Link: https://3d.nih.gov/entries/3DPX-005240

Description: No description available

---

2891. 5-Ureidoimidazole-4-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005241

Description: 5-ureidoimidazole-4-carboxylic acid is an imidazole-4-carboxylic acid compound having a ureido substituent at the 5-position. It is an imidazole-4-carboxylic acid and a member of ureas.

---

2892. 5,6,7,8-Tetrahydropteridine

Link: https://3d.nih.gov/entries/3DPX-005242

Description: 5,6,7,8-tetrahydropteridine is a member of pteridines. It has a role as an Escherichia coli metabolite and a cofactor.

---

2893. 2,3,4,6-Tetrahydroxy-5-oxohexanoic acid

Link: https://3d.nih.gov/entries/3DPX-005243

Description: 5-Keto-D-gluconate is a carbonyl compound.

---

2894. [[3-(2-amino-4-oxo-4a,7,8,8a-tetrahydro-3H-pteridin-6-yl)-2,3-dihydroxypropoxy]-hydroxyphosphoryl] phosphono hydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005244

Description: No description available

---

2895. 6-Amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005245

Description: No description available

---

2896. 6-Diazo-5-oxo-norleucine

Link: https://3d.nih.gov/entries/3DPX-005246

Description: An amino acid that inhibits phosphate-activated glutaminase and interferes with glutamine metabolism. It is an antineoplastic antibiotic produced by an unidentified species of Streptomyces from Per...

---

2897. 5-Amino-2,6-dihydroxy-6-oxohex-1-ene-1-diazonium

Link: https://3d.nih.gov/entries/3DPX-005247

Description: No description available

---

2898. 1-(2-amino-4-oxo-4a,5,6,7,8,8a-hexahydro-3H-pteridin-6-yl)propane-1,2-dione

Link: https://3d.nih.gov/entries/3DPX-005248

Description: No description available

---

2899. 6,7-Dihydropteridine

Link: https://3d.nih.gov/entries/3DPX-005249

Description: 6,7-dihydropteridine is a member of 6,7-dihydropteridines.

---

2900. CID 170

Link: https://3d.nih.gov/entries/3DPX-005250

Description: In the mammalian host, dihydrofolate biosynthesis occurs via the reduction of folic acid, whereas in plasmodia (Plasmodium berghei, a malaria parasite) the biosynthesis of 7, 8-dihydropteroate, an ...

---

2901. CID 171

Link: https://3d.nih.gov/entries/3DPX-005251

Description: 7-Aminomethyl-7-carbaguanine is one of the precursors of nucleoside Q (queuosine) biosynthesis. It is a substrate for preQ1 synthase (EC 1. 7. 1. 13) which catalyzes the NADPH-dependent reduction o...

---

2902. 8-Amino-7-oxononanoic acid

Link: https://3d.nih.gov/entries/3DPX-005252

Description: 8-amino-7-oxononanoic acid is the 8-amino-7-oxo derivative of nonanoic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is a 7-oxo monocarboxylic acid and an amino acid. It is funct...

---

2903. Acetate

Link: https://3d.nih.gov/entries/3DPX-005253

Description: Acetate is a monocarboxylic acid anion resulting from the removal of a proton from the carboxy group of acetic acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. I...

---

2904. Acetaldehyde

Link: https://3d.nih.gov/entries/3DPX-005254

Description: Acetaldehyde is the aldehyde formed from acetic acid by reduction of the carboxy group. It is the most abundant carcinogen in tobacco smoke. It has a role as a human metabolite, an EC 3.5.1.4 (amid...

---

2905. Acetamide

Link: https://3d.nih.gov/entries/3DPX-005255

Description: Acetamide is a member of the class of acetamides that results from the formal condensation of acetic acid with ammonia. It is a monocarboxylic acid amide, a N-acylammonia and a member of acetamides...

---

2906. Acetoin

Link: https://3d.nih.gov/entries/3DPX-005256

Description: Acetoin is a methyl ketone that is butan-2-one substituted by a hydroxy group at position 3. It has a role as a metabolite. It is a methyl ketone and a secondary alpha-hydroxy ketone.

---

2907. N-Acetyl-DL-glutamic acid

Link: https://3d.nih.gov/entries/3DPX-005257

Description: Acetyl-Glu is a glutamic acid derivative.

---

2908. 2-[(3,5-dimethoxyphenyl)methylsulfanyl]-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine

Link: https://3d.nih.gov/entries/3DPX-005258

Description: No description available

---

2909. 3-Acetyloxy-2-aminopropanoic acid

Link: https://3d.nih.gov/entries/3DPX-005259

Description: No description available

---

2910. 2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

Link: https://3d.nih.gov/entries/3DPX-005260

Description: 2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol is a purine nucleoside.

---

2911. (2S)-2-amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid

Link: https://3d.nih.gov/entries/3DPX-005261

Description: (2S)-2-Amino-4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoic acid is a nucleobase-containing molecular entity.

---

2912. 2-[[9-[3,4-Dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-6-yl]amino]butanedioic acid

Link: https://3d.nih.gov/entries/3DPX-005262

Description: Adenylsuccinic acid is a substrate of the enzyme adenylosuccinase [EC 4. 3. 2. 2] in purine metabolism pathway. The accumulation of adenylsuccinic acid in body fluids occurs due to a deficiency of ...

---

2913. Adipic acid

Link: https://3d.nih.gov/entries/3DPX-005263

Description: Adipic acid is a white crystalline solid. It is insoluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. It i...

---

2914. Adenosine diphosphate;ADP

Link: https://3d.nih.gov/entries/3DPX-005264

Description: Adenosine_Diphosphate is a purine ribonucleoside diphosphate.

---

2915. Agmatine

Link: https://3d.nih.gov/entries/3DPX-005265

Description: Agmatine is a primary amino compound and a member of guanidines. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate base of an agmatinium( 2+).

---

2916. 1H-imidazole-4-carboxamide, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-

Link: https://3d.nih.gov/entries/3DPX-005266

Description: [5-(5-amino-4-carbamoyl-1-imidazolyl)-3,4-dihydroxy-2-oxolanyl]methyl dihydrogen phosphate is a 1-ribosylimidazolecarboxamide.

---

2917. Allantoic acid

Link: https://3d.nih.gov/entries/3DPX-005267

Description: Allantoic acid is a member of the class of ureas that consists of acetic acid in which the two methyl hydrogens are replaced by carbamoylamino groups respectively. It has a role as a plant metaboli...

---

2918. DL-Threonine

Link: https://3d.nih.gov/entries/3DPX-005268

Description: 2-amino-3-hydroxybutanoic acid is an alpha-amino acid that is butanoic acid substituted by an amino group at position 2 and a hydroxy group at position 3. It has a role as a plant metabolite.

---

2919. 2-Amino-6-oxohexanoic acid

Link: https://3d.nih.gov/entries/3DPX-005269

Description: Allysine is an alpha-amino acid consisting of lysine having an oxo group in place of the side-chain amino group. It is a tautomer of an allysine zwitterion.

---

2920. 6-o-Phosphonohexopyranose

Link: https://3d.nih.gov/entries/3DPX-005270

Description: 6-o-Phosphonohexopyranose is a phospho sugar.

---

2921. 5,6-Dimethyl-1-pentofuranosyl-1h-benzimidazole

Link: https://3d.nih.gov/entries/3DPX-005271

Description: No description available

---

2922. [5-(5,6-Dimethylbenzimidazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005272

Description: No description available

---

2923. 8-iso Prostaglandin E1

Link: https://3d.nih.gov/entries/3DPX-005273

Description: No description available

---

2924. Aminoacetone

Link: https://3d.nih.gov/entries/3DPX-005274

Description: Aminoacetone is a propanone consisting of acetone having an amino group at the 1-position. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a methyl ketone and a member...

---

2925. (4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005275

Description: 4-amino-2-methyl-5-phosphooxymethylpyrimidine is an aminopyrimidine having the amino group at the 4-position together with methyl and phosphooxymethyl groups at the 2- and 5-positions respectively....

---

2926. (4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate

Link: https://3d.nih.gov/entries/3DPX-005276

Description: 4-amino-2-methyl-5-diphosphooxymethylpyrimidine is an aminopyrimidine that is pyrimidin-4-amine substituted by a methyl group at position 2 and a diphosphooxymethyl group at position 5. It has a ro...

---

2927. CID 218

Link: https://3d.nih.gov/entries/3DPX-005277

Description: No description available

---

2928. 2-Amino-3-oxobutanoic acid

Link: https://3d.nih.gov/entries/3DPX-005278

Description: 2-amino-3-oxobutanoic acid is an alpha-amino acid that is acetoacetic acid which is substituted by an amino group at position 2. It is a 3-oxo monocarboxylic acid and a non-proteinogenic alpha-amin...

---

2929. Aminoparathion

Link: https://3d.nih.gov/entries/3DPX-005279

Description: Aminoparathion is an organic thiophosphate that is 4-aminophenol in which the hydroxy group is replaced by a (diethoxyphosphorothioyl)oxy group. It is a metabolite of parathion. It has a role as an...

---

2930. CID 221

Link: https://3d.nih.gov/entries/3DPX-005280

Description: 5-Amino-6-ribitylamino uracil is an intermediate in riboflavin metabolism. It is converted from 5-Amino-6-(5'-phosphoribitylamino)uracil via dephosphorylation by the enzyme phosphohistidine phospha...

---

2931. Ammonium

Link: https://3d.nih.gov/entries/3DPX-005281

Description: Ammonium is an onium cation obtained by protonation of ammonia. It has a role as a human metabolite, a Saccharomyces cerevisiae metabolite, an Escherichia coli metabolite and a cofactor. It is a ni...

---

2932. Amino(phosphanyl)methanol

Link: https://3d.nih.gov/entries/3DPX-005282

Description: No description available

---

2933. Anthranilic acid

Link: https://3d.nih.gov/entries/3DPX-005283

Description: Anthranilic acid is an aminobenzoic acid that is benzoic acid having a single amino substituent located at position 2. It is a metabolite produced in L-tryptophan-kynurenine pathway in the central ...

---

2934. 9-{5-O-[Hydroxy(sulfooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine

Link: https://3d.nih.gov/entries/3DPX-005284

Description: No description available

---

2935. Pentose

Link: https://3d.nih.gov/entries/3DPX-005285

Description: No description available

---

2936. 5-o-Phosphonopentose

Link: https://3d.nih.gov/entries/3DPX-005286

Description: No description available

---

2937. Immunocytophyt;Immunocytophyte;Vevodar

Link: https://3d.nih.gov/entries/3DPX-005287

Description: No description available

---

2938. DL-Arginine

Link: https://3d.nih.gov/entries/3DPX-005288

Description: Arginine is an alpha-amino acid that is glycine in which the alpha-is substituted by a 3-guanidinopropyl group. It has a role as a fundamental metabolite. It is an alpha-amino acid, a member of gua...

---

2939. DL-Asparagine

Link: https://3d.nih.gov/entries/3DPX-005289

Description: Asparagine is an alpha-amino acid in which one of the hydrogens attached to the alpha-carbon of glycine is substituted by a 2-amino-2-oxoethyl group. It has a role as a Daphnia magna metabolite and...

---

2940. Quinacrine

Link: https://3d.nih.gov/entries/3DPX-005290

Description: Quinacrine is a member of the class of acridines that is acridine substituted by a chloro group at position 6, a methoxy group at position 2 and a [5-(diethylamino)pentan-2-yl]nitrilo group at posi...

---

2941. Triphosadenine

Link: https://3d.nih.gov/entries/3DPX-005291

Description: No description available

---

2942. beta-Alanine

Link: https://3d.nih.gov/entries/3DPX-005292

Description: Beta-alanine is a naturally-occurring beta-amino acid comprising propionic acid with the amino group in the 3-position. It has a role as an inhibitor, an agonist, a human metabolite, a fundamental ...

---

2943. Benzyl Alcohol

Link: https://3d.nih.gov/entries/3DPX-005293

Description: Benzyl alcohol is an aromatic alcohol that consists of benzene bearing a single hydroxymethyl substituent. It has a role as a solvent, a metabolite, an antioxidant and a fragrance.

---

2944. Betaine

Link: https://3d.nih.gov/entries/3DPX-005294

Description: Glycine betaine is the amino acid betaine derived from glycine. It has a role as a fundamental metabolite. It is an amino-acid betaine and a glycine derivative. It is a conjugate base of a N,N,N-tr...

---

2945. Trimethyl glycine

Link: https://3d.nih.gov/entries/3DPX-005295

Description: N,N,N-trimethylglycinium is a quaternary ammonium ion in which the substituents on nitrogen are methyl (three) and carboxymethyl. It has a role as a fundamental metabolite. It is a conjugate acid o...

---

2946. Betaine aldehyde

Link: https://3d.nih.gov/entries/3DPX-005296

Description: Betaine aldehyde is a quaternary ammonium ion that is nitrogen substituted by three methyl groups and a 2-oxoethyl group. It is an intermediate in the metabolism of amino acids like glycine, serine...

---

2947. 21H-Biline-8,12-dipropanoicacid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,(4E)-

Link: https://3d.nih.gov/entries/3DPX-005297

Description: No description available

---

2948. 3-[2-[[3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid

Link: https://3d.nih.gov/entries/3DPX-005298

Description: No description available

---

2949. CID 252

Link: https://3d.nih.gov/entries/3DPX-005299

Description: 7,8-Dihydrobiopterin is an inhibitor of the enzyme dihydroneopterin aldolase (DHNA), which catalyzes the conversion of 7,8-Dihydrobiopterin to 6-hydroxymethyl-7,8-dihydropterin and glycolaldehyde.

---

2950. Component of Deca-VI-Sol

Link: https://3d.nih.gov/entries/3DPX-005300

Description: No description available

---

2951. Biphenyl-2,3-diol

Link: https://3d.nih.gov/entries/3DPX-005301

Description: Biphenyl-2,3-diol is a member of the class of hydroxybiphenyls that is 1,1'-biphenyl substituted by hydroxy groups at positions 2 and 3. It is a member of catechols and a member of hydroxybiphenyls.

---

2952. Bis(4-nitrophenyl) hydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005302

Description: Bis-4-nitrophenyl phosphate is an aryl phosphate. It is functionally related to a 4-nitrophenol.

---

2953. Blasticidin S, Hydrochloride

Link: https://3d.nih.gov/entries/3DPX-005303

Description: No description available

---

2954. Hydrogen bromide

Link: https://3d.nih.gov/entries/3DPX-005304

Description: Bromine atom is a halogen. It has a role as a micronutrient.

---

2955. Butyraldehyde

Link: https://3d.nih.gov/entries/3DPX-005305

Description: Butanal is a member of the class of butanals that consists of propane bearing a formyl substituent at the 1-position. The parent of the class of butanals. It has a role as a biomarker, an Escherich...

---

2956. 2,3-Butanediol

Link: https://3d.nih.gov/entries/3DPX-005306

Description: Butane-2,3-diol is a butanediol in which hydroxylation is at C-2 and C-3. It is a butanediol, a glycol and a secondary alcohol.

---

2957. 1-Butanol

Link: https://3d.nih.gov/entries/3DPX-005307

Description: Butan-1-ol is a primary alcohol that is butane in which a hydrogen of one of the methyl groups is substituted by a hydroxy group. It it produced in small amounts in humans by the gut microbes. It h...

---

2958. Butyric acid

Link: https://3d.nih.gov/entries/3DPX-005308

Description: BUTYRIC ACID is a colorless liquid with a penetrating and unpleasant odor. Flash point 170°F. Corrosive to metals and tissue. Density 8.0 lb /gal.

---

2959. Butanoyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005309

Description: Butanoyl dihydrogen phosphate is an acyl monophosphate where the acyl groups is butanoyl. It is a conjugate acid of a butanoyl phosphate(2-).

---

2960. Cadaverine

Link: https://3d.nih.gov/entries/3DPX-005310

Description: Cadaverine is an alkane-alpha,omega-diamine comprising a straight-chain pentane core with amino substitutents at positions 1 and 5. A colourless syrupy liquid diamine with a distinctive unpleasant ...

---

2961. Acrasin

Link: https://3d.nih.gov/entries/3DPX-005311

Description: No description available

---

2962. DL-Canavanine

Link: https://3d.nih.gov/entries/3DPX-005312

Description: DL-Canavanine is an alpha-amino acid.

---

2963. Carbamate

Link: https://3d.nih.gov/entries/3DPX-005313

Description: Carbamate is an amino-acid anion. It is a conjugate base of a carbamic acid.

---

2964. Carbamic acid

Link: https://3d.nih.gov/entries/3DPX-005314

Description: Carbamic acid is a one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never be...

---

2965. Carbamoyl phosphate

Link: https://3d.nih.gov/entries/3DPX-005315

Description: Carbamoyl phosphate is a one-carbon compound and an acyl monophosphate. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a carbamoyl phosphate(2-).

---

2966. Ureidosuccinic acid

Link: https://3d.nih.gov/entries/3DPX-005316

Description: N-carbamoylaspartic acid is an N-carbamoylamino acid that is aspartic acid with one of its amino hydrogens replaced by a carbamoyl group. It has a role as a Saccharomyces cerevisiae metabolite, an ...

---

2967. 3-(5,6-Dihydroxycyclohexa-1,3-dien-1-yl)propanoic acid

Link: https://3d.nih.gov/entries/3DPX-005317

Description: No description available

---

2968. Formate

Link: https://3d.nih.gov/entries/3DPX-005318

Description: Formate is a monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects. It has a role as a human metabolite and a Sa...

---

2969. Formic Acid

Link: https://3d.nih.gov/entries/3DPX-005319

Description: Formic acid is the simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Pr...

---

2970. (Aminooxy)acetate

Link: https://3d.nih.gov/entries/3DPX-005320

Description: (aminooxy)acetate is a monocarboxylic acid anion that is the conjugate base of (aminooxy)acetic acid, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3. It is a co...

---

2971. Aminooxyacetic acid

Link: https://3d.nih.gov/entries/3DPX-005321

Description: (aminooxy)acetic acid is a member of the class of hydroxylamines that is acetic acid substituted at postion 2 by an aminooxy group. It is a compound which inhibits aminobutyrate aminotransferase ac...

---

2972. 2-[(3,4-Dihydroxy-2-oxo-5-phosphonooxypentyl)amino]benzoic acid

Link: https://3d.nih.gov/entries/3DPX-005322

Description: No description available

---

2973. DL-Carnitine

Link: https://3d.nih.gov/entries/3DPX-005323

Description: Carnitine is an amino-acid betaine that is butanoate substituted with a hydroxy group at position C-3 and a trimethylammonium group at C-4. It has a role as a human metabolite and a mouse metabolit...

---

2974. 4-Amino-1-{5-o-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}pyrimidin-2(1h)-one

Link: https://3d.nih.gov/entries/3DPX-005324

Description: No description available

---

2975. 4-Amino-1-{5-O-[hydroxy({hydroxy[2-(trimethylazaniumyl)ethoxy]phosphoryl}oxy)phosphoryl]pentofuranosyl}pyrimidin-2(1H)-one

Link: https://3d.nih.gov/entries/3DPX-005325

Description: No description available

---

2976. 4-Amino-1-{5-o-[{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]pentofuranosyl}pyrimidin-2(1h)-one

Link: https://3d.nih.gov/entries/3DPX-005326

Description: No description available

---

2977. CID 295

Link: https://3d.nih.gov/entries/3DPX-005327

Description: No description available

---

2978. 2-Methyl-3-oxopropanoic acid

Link: https://3d.nih.gov/entries/3DPX-005328

Description: 2-methyl-3-oxopropanoic acid is the 2-methyl-3-oxo derivative of propanoic acid. It is a 3-oxo monocarboxylic acid and an aldehyde. It is functionally related to a propionic acid. It is a conjugate...

---

2979. 2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

Link: https://3d.nih.gov/entries/3DPX-005329

Description: 2,2-dichloro-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide is a C-nitro compound.

---

2980. Chlordecone

Link: https://3d.nih.gov/entries/3DPX-005330

Description: Chlordecone is an organochlorine compound with insecticidal activity. It has a role as a persistent organic pollutant and an insecticide. It is an organochlorine compound and a cyclic ketone.

---

2981. Chloroacetic acid

Link: https://3d.nih.gov/entries/3DPX-005331

Description: Chloroacetic acid is a chlorocarboxylic acid that is acetic acid carrying a 2-chloro substituent. It has a role as an alkylating agent and a herbicide. It is a chlorocarboxylic acid and a haloaceti...

---

2982. Chlorohydroquinone

Link: https://3d.nih.gov/entries/3DPX-005332

Description: Chlorohydroquinone is a benzenediol that consists of hydroquinone bearing a single chloro substituent. It has a role as a metabolite. It is a member of monochlorobenzenes and a member of chlorohydr...

---

2983. 3-(1-Carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005333

Description: No description available

---

2984. 3-Phenyl-propenal

Link: https://3d.nih.gov/entries/3DPX-005334

Description: No description available

---

2985. 3-Phenyl-2-propenol

Link: https://3d.nih.gov/entries/3DPX-005335

Description: Cinnamyl alcohol is found in anise. Cinnamyl alcohol is a flavouring ingredien

---

2986. Aconitic acid

Link: https://3d.nih.gov/entries/3DPX-005336

Description: Aconitic acid is a tricarboxylic acid that is prop-1-ene substituted by carboxy groups at positions 1, 2 and 3. It is a conjugate acid of an aconitate(3-).

---

2987. 2,4-Hexadienedioic acid, (2Z,4Z)-

Link: https://3d.nih.gov/entries/3DPX-005337

Description: No description available

---

2988. Cytosine arabinoside monophosphate

Link: https://3d.nih.gov/entries/3DPX-005338

Description: Cytosine arabinoside monophosphate is a pyrimidine ribonucleoside monophosphate.

---

2989. 3-Pentofuranosyl-3,4,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol

Link: https://3d.nih.gov/entries/3DPX-005339

Description: No description available

---

2990. coproporphyrinogen III

Link: https://3d.nih.gov/entries/3DPX-005340

Description: Coproporphyrinogen III is a coproporphyrinogen. It has a role as an Escherichia coli metabolite and a mouse metabolite. It is a conjugate acid of a coproporphyrinogen III(4-).

---

2991. 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2Z)-

Link: https://3d.nih.gov/entries/3DPX-005341

Description: 3-(4-hydroxyphenyl)prop-2-enoic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 3-(4-hydroxyphenyl)-1-(2, 4, 6-trihydroxy-3-methoxyphenyl)prop-2-en...

---

2992. Coumarin

Link: https://3d.nih.gov/entries/3DPX-005342

Description: Coumarin is a chromenone having the keto group located at the 2-position. It has a role as a fluorescent dye, a plant metabolite and a human metabolite.

---

2993. 4-Isopropylbenzyl alcohol

Link: https://3d.nih.gov/entries/3DPX-005343

Description: 4-isopropylbenzyl alcohol is a member of the class of benzyl alcohols in which the hydrogen at position 4 on the phenyl ring of benzyl alcohol has been replaced by an isopropyl group. It has a role...

---

2994. 4-Isopropylbenzaldehyde

Link: https://3d.nih.gov/entries/3DPX-005344

Description: Cuminaldehyde is a member of the class of benzaldehydes that is benzaldehyde substituted by an isopropyl group at position 4. It is a component of essential oils from Cumin and exhibits insecticida...

---

2995. CID 327

Link: https://3d.nih.gov/entries/3DPX-005345

Description: No description available

---

2996. 4-Hydroxyphenylglycolic acid

Link: https://3d.nih.gov/entries/3DPX-005346

Description: 4-hydroxymandelic acid is a 2-hydroxy carboxylic acid that is mandelic acid bearing a phenolic hydroxy substituent at position 4. It has a role as a metabolite. It is a 2-hydroxy carboxylic acid an...

---

2997. (3,4-Dihydroxy-5-methylsulfanyl-2-oxo-pentoxy)phosphonic acid

Link: https://3d.nih.gov/entries/3DPX-005347

Description: No description available

---

2998. Hexanoic acid, 3,5-diamino-

Link: https://3d.nih.gov/entries/3DPX-005348

Description: No description available

---

2999. 2-Methoxy-4-vinylphenol

Link: https://3d.nih.gov/entries/3DPX-005349

Description: 2-methoxy-4-vinylphenol is a member of the class of phenols that is guaiacol in which the hydrogen para- to the hydroxy group is replaced by a vinyl group. It has a role as a pheromone, a flavourin...

---

3000. Ureidoglycolic Acid

Link: https://3d.nih.gov/entries/3DPX-005350

Description: Ureidoglycolic acid is a ureidocarboxylic acid. It has a role as a Saccharomyces cerevisiae metabolite. It is functionally related to a glycolic acid.

---

3001. 3,4,5-Trihydroxypentan-2-one

Link: https://3d.nih.gov/entries/3DPX-005351

Description: No description available

---

3002. (2-Aminoethyl)phosphonic acid

Link: https://3d.nih.gov/entries/3DPX-005352

Description: (2-aminoethyl)phosphonic acid is a phosphonic acid in which the hydrogen attached to the phosphorus of phosphonic acid is substituted by a 2-aminoethyl group. It has a role as a metabolite, a human...

---

3003. 3-Methylcatechol

Link: https://3d.nih.gov/entries/3DPX-005353

Description: 3-methylcatechol is a methylcatechol carrying a methyl substituent at position 3. It is a xenobiotic metabolite produced by some bacteria capable of degrading nitroaromatic compounds present in pes...

---

3004. Digallic acid

Link: https://3d.nih.gov/entries/3DPX-005354

Description: Digallic acid is a benzoate ester and a gallate ester. It is functionally related to a gallic acid. It is a conjugate acid of a digallate.

---

3005. 3,4,5-Trihydroxycyclohexane-1,2-dione

Link: https://3d.nih.gov/entries/3DPX-005355

Description: No description available

---

3006. But-2-ene-1,2,3-tricarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005356

Description: No description available

---

3007. p-Hydroxyphenyl beta-D-glucopyranoside

Link: https://3d.nih.gov/entries/3DPX-005357

Description: Arbutin is found in apple. Glucoside in pear leaves (Pyrus communis

---

3008. 2-(Hydroxymethyl)-6-[3-(hydroxymethyl)phenoxy]oxane-3,4,5-triol

Link: https://3d.nih.gov/entries/3DPX-005358

Description: No description available

---

3009. [3,4,5-Trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005359

Description: No description available

---

3010. a 3-Dehydropyranose

Link: https://3d.nih.gov/entries/3DPX-005360

Description: No description available

---

3011. 3-Phosphonooxy-2-(7-sulfanylheptanoylamino)butanoic acid

Link: https://3d.nih.gov/entries/3DPX-005361

Description: No description available

---

3012. 2-Oxohept-3-enedioic acid

Link: https://3d.nih.gov/entries/3DPX-005362

Description: No description available

---

3013. 4-Hydroxyphenylglyoxylic acid

Link: https://3d.nih.gov/entries/3DPX-005363

Description: 4-hydroxyphenylglyoxylic acid is a member of phenols. It is functionally related to a glyoxylic acid. It is a conjugate acid of a 4-hydroxyphenylglyoxylate.

---

3014. 1,3,4,6-Tetrachloro-1,4-cyclohexadiene

Link: https://3d.nih.gov/entries/3DPX-005364

Description: 1,3,4,6-tetrachlorocyclohexa-1,4-diene is a chloroolefin that is cyclohexa-1,4-diene substituted by chloro groups at positions 1, 3, 4 and 6. It is a chloroolefin and a cyclohexadiene. It derives f...

---

3015. 5-Amino-3-oxohexanoic acid

Link: https://3d.nih.gov/entries/3DPX-005365

Description: No description available

---

3016. Dihydrophloroglucinol

Link: https://3d.nih.gov/entries/3DPX-005366

Description: Dihydrophloroglucinol is a phloroglucinol. It is a conjugate acid of a dihydrophloroglucinol(1-).

---

3017. 1,2-Dihydronaphthalene-1,2-diol

Link: https://3d.nih.gov/entries/3DPX-005367

Description: 1,2-dihydronaphthalene-1,2-diol is a member of the class of naphthalenediols that is 1,2-dihydronaphthalene substituted by hydroxy groups at positions 1 and 2 respectively. It has a role as a bacte...

---

3018. 2-Aminoacetaldehyde

Link: https://3d.nih.gov/entries/3DPX-005368

Description: 2-aminoacetaldehyde is an amino aldehyde that is acetaldehyde in which one of the hydrogens of the methyl group has been replaced by an amino group. It has a role as an Escherichia coli metabolite....

---

3019. 2,3-Diaminopropionic acid

Link: https://3d.nih.gov/entries/3DPX-005369

Description: 3-aminoalanine is a diamino acid that is alanine in which one of the hydrogens of the methyl group is replaced by an amino group. It has a role as an Escherichia coli metabolite. It is a diamino ac...

---

3020. 4-Methylumbelliferyl acetate

Link: https://3d.nih.gov/entries/3DPX-005370

Description: 4-methylumbelliferyl acetate is an acetate ester consiting of umbelliferone carrying a 7-O-acetyl group. It has a role as a plant metabolite. It is an acetate ester and a member of coumarins. It is...

---

3021. Sym-homospermidine

Link: https://3d.nih.gov/entries/3DPX-005371

Description: Sym-homospermidine is a polyazaalkane comprising undecane with three aza groups placed at the 1-, 6- and 11-positions. It is a triamine and a polyazaalkane. It is a conjugate base of a sym-homosper...

---

3022. Acetylenedicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005372

Description: Butynedioic acid is an acetylenic compound that is acetylene in which the hydrogens are replaced by carboxy groups. It is a C4-dicarboxylic acid and an acetylenic compound. It is a conjugate acid o...

---

3023. 2-oxo-2H-pyran-4,6-dicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005373

Description: 2-oxo-2H-pyran-4,6-dicarboxylic acid is a pyrandicarboxylic acid. It is a conjugate acid of a 2-oxo-2H-pyran-4,6-dicarboxylate.

---

3024. 4-Oxobut-2-ene-1,2,4-tricarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005374

Description: No description available

---

3025. 3-Hydroxy-5-oxohexanoic acid

Link: https://3d.nih.gov/entries/3DPX-005375

Description: 3-hydroxy-5-oxohexanoic acid is a 5-oxo monocarboxylic acid and a 3-hydroxy monocarboxylic acid. It is functionally related to a hexanoic acid. It is a conjugate acid of a 3-hydroxy-5-oxohexanoate.

---

3026. 4-Nitrophenyl phosphate

Link: https://3d.nih.gov/entries/3DPX-005376

Description: 4-nitrophenyl phosphate is an aryl phosphate resulting from the mono-esterification of phosphoric acid with 4-nitrophenol. It has a role as a mouse metabolite. It is functionally related to a 4-nit...

---

3027. Octanoic acid

Link: https://3d.nih.gov/entries/3DPX-005377

Description: OCTANOIC ACID is a colorless to light yellow liquid with a mild odor. Burns, but may be difficult to ignite. Corrosive to metals and tissue.

---

3028. 2-(1-Carboxyethylamino)pentanoic acid

Link: https://3d.nih.gov/entries/3DPX-005378

Description: No description available

---

3029. Pimelic acid

Link: https://3d.nih.gov/entries/3DPX-005379

Description: Pimelic acid is an alpha,omega-dicarboxylic acid that is pentane with two carboxylic acid groups at positions C-1 and C-5. It has a role as an Escherichia coli metabolite and a Daphnia magna metabo...

---

3030. DL-Ornithine

Link: https://3d.nih.gov/entries/3DPX-005380

Description: Ornithine is an alpha-amino acid that is pentanoic acid bearing two amino substituents at positions 2 and 5. It has a role as a human metabolite, a Daphnia magna metabolite, an algal metabolite and...

---

3031. 3,8-Dimethyldec-7-en-1-yl trihydrogen diphosphate

Link: https://3d.nih.gov/entries/3DPX-005381

Description: No description available

---

3032. beta-Lysine

Link: https://3d.nih.gov/entries/3DPX-005382

Description: No description available

---

3033. 2,4,5-Trihydroxy-3-oxo-6-phosphonooxyhexanoic acid

Link: https://3d.nih.gov/entries/3DPX-005383

Description: No description available

---

3034. Indole-3-acetamide

Link: https://3d.nih.gov/entries/3DPX-005384

Description: Indole-3-acetamide is a member of the class of indoles that is acetamide substituted by a 1H-indol-3-yl group at position 2. It is an intermediate in the production of plant hormone indole acetic a...

---

3035. 2-Nitropropane

Link: https://3d.nih.gov/entries/3DPX-005385

Description: 2-nitropropane is a secondary nitroalkane that is propane in which a hydrogen at position 2 has been replaced by a nitro group. Mainly used as a solvent (b.p. 120###). It has a role as a hepatotoxi...

---

3036. Buta-1,3-diene-1,2,4-tricarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-005386

Description: No description available

---

3037. N-(2-formylphenyl)formamide

Link: https://3d.nih.gov/entries/3DPX-005387

Description: 2-formylphenylformamide is a member of benzaldehydes.

---

3038. 4-Aminoisoxazolidin-3-one

Link: https://3d.nih.gov/entries/3DPX-005388

Description: 4-amino-1,2-oxazolidin-3-one is a member of the class of oxazolidines that is isoxazoldin-3-one which is substituted at position 4 by an amino group. It is a serine derivative, a member of oxazolid...

---

3039. Hydrogen Sulfide

Link: https://3d.nih.gov/entries/3DPX-005389

Description: HYDROGEN SULFIDE is a colorless gas having a strong odor of rotten eggs. Boiling point -60.2°C. Shipped as a liquid confined under its own vapor pressure. Density (liquid) 8.3 lb / gal. Contact wit...

---

3040. 4-Aminophenol

Link: https://3d.nih.gov/entries/3DPX-005390

Description: 4-aminophenol is an amino phenol (one of the three possible isomers) which has the single amino substituent located para to the phenolic -OH group. It has a role as a metabolite and an allergen.

---

3041. 7-Hydroxylysine

Link: https://3d.nih.gov/entries/3DPX-005391

Description: No description available

---

3042. Phosphonic acid dianion

Link: https://3d.nih.gov/entries/3DPX-005392

Description: No description available

---

3043. CID 407

Link: https://3d.nih.gov/entries/3DPX-005393

Description: No description available

---

3044. 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone

Link: https://3d.nih.gov/entries/3DPX-005394

Description: 1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone is a member of pyrrolidines and a member of pyridines.

---

3045. Nicotine 1-N-oxide

Link: https://3d.nih.gov/entries/3DPX-005395

Description: Nicotine N(1')-oxide is a tertiary amine oxide resulting from the oxidation of the pyrrolidine nitrogen of nicotine. It is a member of pyrrolidine N-oxides and a member of pyridines. It derives fro...

---

3046. Nornicotine

Link: https://3d.nih.gov/entries/3DPX-005396

Description: Nornicotine is an alkaloid extracted from tobacco and related to nicotine but having a lower toxicity: used as an agricultural and horticultural insecticide.

---

3047. Norcotinine

Link: https://3d.nih.gov/entries/3DPX-005397

Description: Norcotinine is a member of pyrrolidines and a member of pyridines.

---

3048. 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-

Link: https://3d.nih.gov/entries/3DPX-005398

Description: 2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)- is a member of pyrrolidines and a member of pyridines.

---

3049. 5-Hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

Link: https://3d.nih.gov/entries/3DPX-005399

Description: No description available

---

3050. CID 417

Link: https://3d.nih.gov/entries/3DPX-005400

Description: No description available

---

3051. 3,5-Cyclohexadiene-1,2-diol

Link: https://3d.nih.gov/entries/3DPX-005401

Description: Cyclohexa-3,5-diene-1,2-diol is a member of catechols. It derives from a hydride of a cyclohexa-1,3-diene.

---

3052. 4-Keto hex-2-enedioic acid

Link: https://3d.nih.gov/entries/3DPX-005402

Description: No description available

---

3053. Dihydrolipoic acid

Link: https://3d.nih.gov/entries/3DPX-005403

Description: Dihydrolipoic acid is a thio-fatty acid that is reduced form of lipoic acid. A potent antioxidant shown to directly destroy superoxide, hydroperoxy and hydroxyl radicals; also has neuroprotective a...

---

3054. d-Gluconic acid, 6-(dihydrogen phosphate), trisodium salt

Link: https://3d.nih.gov/entries/3DPX-005404

Description: No description available

---

3055. 2-Amino-4-oxopentanoic acid

Link: https://3d.nih.gov/entries/3DPX-005405

Description: 2-amino-4-oxopentanoic acid is a derivative of valeric acid having amino and oxo substituents at the 2- and 4-positions respectively. It is a 4-oxo monocarboxylic acid and a non-proteinogenic alpha...

---

3056. DL-Aspartic acid

Link: https://3d.nih.gov/entries/3DPX-005406

Description: Aspartic acid is an alpha-amino acid that consists of succinic acid bearing a single alpha-amino substituent It has a role as a fundamental metabolite. It is an alpha-amino acid, a C4-dicarboxylic ...

---

3057. GU17;ISL;Isoliquiritigen

Link: https://3d.nih.gov/entries/3DPX-005407

Description: No description available

---

3058. Nopaline

Link: https://3d.nih.gov/entries/3DPX-005408

Description: No description available

---

3059. Octopine

Link: https://3d.nih.gov/entries/3DPX-005409

Description: 5-(Amidinoamino)-2-[(carboxyethyl)amino]pentanoic acid is an alanine derivative.

---

3060. 1,3-Diaminopropane

Link: https://3d.nih.gov/entries/3DPX-005410

Description: Trimethylenediamine is an alkane-alpha,omega-diamine comprising a propane skeleton with amino substituents at positions 1 and 3. It has a role as a reagent, a human metabolite and a mouse metabolit...

---

3061. 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)pentitol

Link: https://3d.nih.gov/entries/3DPX-005411

Description: No description available

---

3062. N-Methylnicotinium

Link: https://3d.nih.gov/entries/3DPX-005412

Description: N-Methylnicotinium is a nicotine degradation product arising from its methylation by S-adenosylmethionine (and subsequent conversion to S-adnonsylcysteine).

---

3063. Nicotine imine

Link: https://3d.nih.gov/entries/3DPX-005413

Description: Nicotine imine is a citraconoyl group.

---

3064. 1-Methyl-2-(pyridin-3-yl)pyrrolidin-2-ol

Link: https://3d.nih.gov/entries/3DPX-005414

Description: 2-Hydroxynicotine is a metabolite of the degradation of Nicotine (Nicotine is an alkaloid found in the nightshade family of plants (Solanaceae), predominantly in tobacco, and in lower quantities in...

---

3065. 1-(Hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one

Link: https://3d.nih.gov/entries/3DPX-005415

Description: No description available

---

3066. Pseudooxynicotine

Link: https://3d.nih.gov/entries/3DPX-005416

Description: Pseudooxynicotine is an aminoacylpyridine that is pyridine substituted at position 3 by a 4-(methylamino)butanoyl group. It is a pyridine alkaloid and an aminoacylpyridine. It is a conjugate base o...

---

3067. 4-Oxo-4-(3-pyridyl)-butanamide

Link: https://3d.nih.gov/entries/3DPX-005417

Description: 4-Oxo-4-(3-pyridyl)-butanamide is an aromatic ketone.

---

3068. Oxoamide

Link: https://3d.nih.gov/entries/3DPX-005418

Description: Oxoamide is an aromatic ketone.

---

3069. 4-Oxo-4-(pyridin-3-yl)butanoic acid

Link: https://3d.nih.gov/entries/3DPX-005419

Description: 4-oxo-4-(pyridin-3-yl)butanoic acid is a monocarboxylic acid that is succinic acid in which the hydroxy group of one of the carboxy groups is replaced by a pyridin-3-yl group. A byproduct of tobacc...

---

3070. 4-Hydroxy-4-(3-pyridyl)-butanoic acid

Link: https://3d.nih.gov/entries/3DPX-005420

Description: Gamma-Hydroxy-3-pyridinebutanoate is a member of pyridines.

---

3071. 4-Pyridin-3-yl-but-3-enoic acid

Link: https://3d.nih.gov/entries/3DPX-005421

Description: No description available

---

3072. 3,4,5-Trihydroxy-2-oxo-6-phosphonooxyhexanoic acid

Link: https://3d.nih.gov/entries/3DPX-005422

Description: No description available

---

3073. 2-(Tert-butylamino)-1-(3-chlorophenyl)propan-1-ol

Link: https://3d.nih.gov/entries/3DPX-005423

Description: Erythrohydrobupropion is the breakdown product of bupropion, a drug used as an anti-depressant.

---

3074. Hydroxybupropion

Link: https://3d.nih.gov/entries/3DPX-005424

Description: Hydroxybupropion is an aromatic ketone.

---

3075. 3-Chlorobenzoic acid

Link: https://3d.nih.gov/entries/3DPX-005425

Description: 3-chlorobenzoic acid is a monochlorobenzoic acid carrying a chloro substituent at position 3. It has a role as a drug metabolite. It is functionally related to a benzoic acid. It is a conjugate aci...

---

3076. m-Chlorohippuric acid

Link: https://3d.nih.gov/entries/3DPX-005426

Description: M-Chloro-hippuric acid is a N-acylglycine. It is functionally related to a N-benzoylglycine.

---

3077. Mevalonate

Link: https://3d.nih.gov/entries/3DPX-005427

Description: Mevalonic acid is a dihydroxy monocarboxylic acid comprising valeric acid having two hydroxy groups at the 3- and 5-positions together with a methyl group at the 3-position. It has a role as a meta...

---

3078. 13-Methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Link: https://3d.nih.gov/entries/3DPX-005428

Description: 13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol is a steroid. It has a role as an estrogen.

---

3079. 2,3,4,5,6-Pentahydroxycyclohexanone

Link: https://3d.nih.gov/entries/3DPX-005429

Description: No description available

---

3080. Hexitol

Link: https://3d.nih.gov/entries/3DPX-005430

Description: Hexane-1,2,3,4,5,6-hexol is a hexitol.

---

3081. Octanal

Link: https://3d.nih.gov/entries/3DPX-005431

Description: Octanal is a saturated fatty aldehyde formally arising from reduction of the carboxy group of caprylic acid (octanoic acid). It has a role as a plant metabolite. It is a saturated fatty aldehyde, a...

---

3082. 2-amino-6-(2-hydroxypropanoyl)-4a,7,8,8a-tetrahydro-3H-pteridin-4-one

Link: https://3d.nih.gov/entries/3DPX-005432

Description: 2-Amino-6-(2-hydroxypropanoyl)-4a,7,8,8a-tetrahydro-3H-pteridin-4-one is a member of pterins.

---

3083. Oxaluric acid

Link: https://3d.nih.gov/entries/3DPX-005433

Description: Oxaluric acid is a 2-oxo monocarboxylic acid that is amino(oxo)acetic acid substituted by a carbamoylamino group at the nitrogen atom. It has a role as an Escherichia coli metabolite. It is a 2-oxo...

---

3084. 1-Methylnicotinamide

Link: https://3d.nih.gov/entries/3DPX-005434

Description: 1-methylnicotinamide is a pyridinium ion comprising nicotinamide having a methyl group at the 1-position. It is a metabolite of nicotinamide which was initially considered to be biologically inacti...

---

3085. S-methylmethionine

Link: https://3d.nih.gov/entries/3DPX-005435

Description: (S)-S-Methylmethionine is found in brassicas. (S)-S-Methylmethionine is isolated from cabbage leaves and other fruits and vegetables.

---

3086. CID 459

Link: https://3d.nih.gov/entries/3DPX-005436

Description: No description available

---

3087. Guaiacol

Link: https://3d.nih.gov/entries/3DPX-005437

Description: Guaiacol is a monomethoxybenzene that consists of phenol with a methoxy substituent at the ortho position. It has a role as an expectorant, a disinfectant, a plant metabolite and an EC 1.1.1.25 (sh...

---

3088. N2-Succinoylarginine

Link: https://3d.nih.gov/entries/3DPX-005438

Description: N2-Succinoylarginine is a N-acyl-amino acid.

---

3089. Hippuric acid

Link: https://3d.nih.gov/entries/3DPX-005439

Description: N-benzoylglycine is an N-acylglycine in which the acyl group is specified as benzoyl. It has a role as a uremic toxin and a human blood serum metabolite. It is a conjugate acid of a N-benzoylglycin...

---

3090. ({3,4-Dihydroxy-5-[(methylsulfanyl)methyl]oxolan-2-yl}oxy)phosphonic acid

Link: https://3d.nih.gov/entries/3DPX-005440

Description: No description available

---

3091. 1-O-phosphonohexopyranose

Link: https://3d.nih.gov/entries/3DPX-005441

Description: Hexose 1-phosphate is an aldohexose phosphate.

---

3092. 2-Aminohexanedioic acid

Link: https://3d.nih.gov/entries/3DPX-005442

Description: 2-aminoadipic acid is an alpha-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine. It has a role as a mammalian metabolite a...

---

3093. 2,4-Diaminobutyric acid

Link: https://3d.nih.gov/entries/3DPX-005443

Description: 2,4-diaminobutyric acid is a diamino acid that is butyric acid in which a hydrogen at position 2 and a hydrogen at position 4 are replaced by amino groups. It is a diamino acid, a gamma-amino acid ...

---

3094. (2-Hydroxy-5-nitrophenyl) dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-005785

Description: No description available

---

3095. [[2-(4-Iodophenyl)acetyl]amino]methylphosphinic acid

Link: https://3d.nih.gov/entries/3DPX-005972

Description: No description available

---

3096. 1-Hydroxy-2,3-dimethylanthracene-9,10-dione

Link: https://3d.nih.gov/entries/3DPX-006039

Description: No description available

---

3097. 11,25-Dihydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),9,11,14,19,21(26),22,24,27-nonaen-16-one

Link: https://3d.nih.gov/entries/3DPX-006194

Description: No description available

---

3098. 4-Amino-25-hydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21(26),22,24,27-nonaen-16-one

Link: https://3d.nih.gov/entries/3DPX-006262

Description: No description available

---

3099. Phenytoin

Link: https://3d.nih.gov/entries/3DPX-006330

Description: Phenytoin is a imidazolidine-2,4-dione that consists of hydantoin bearing two phenyl substituents at position 5. It has a role as an anticonvulsant, a teratogenic agent, a drug allergen and a sodiu...

---

3100. 5-Acetamido-4-methyl-1,3,4-thiadiazole-2-sulfonamide

Link: https://3d.nih.gov/entries/3DPX-006352

Description: No description available

---

3101. 6-Chloromelatonin

Link: https://3d.nih.gov/entries/3DPX-006407

Description: N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.

---

3102. 7,8-Dihydroxyflavone

Link: https://3d.nih.gov/entries/3DPX-006421

Description: 7,8-dihydroxyflavone is a dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8. A dihydroxyflavone that is flavone substituted by hydroxy groups at positions 7 and 8....

---

3103. CID 2025

Link: https://3d.nih.gov/entries/3DPX-006521

Description: No description available

---

3104. 7-{[N-(4-Ethyl-2,3-dioxopiperazine-1-carbonyl)threonyl]amino}-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-006942

Description: No description available

---

3105. Pyxidatol C

Link: https://3d.nih.gov/entries/3DPX-007213

Description: No description available

---

3106. PACM

Link: https://3d.nih.gov/entries/3DPX-007259

Description: No description available

---

3107. GPE_1

Link: https://3d.nih.gov/entries/3DPX-007260

Description: No description available

---

3108. Amphetamine

Link: https://3d.nih.gov/entries/3DPX-007262

Description: Brian Kenney, Bao Tran, Fazle Rabbi

---

3109. L-alanine

Link: https://3d.nih.gov/entries/3DPX-007263

Description: No description available

---

3110. Glycine

Link: https://3d.nih.gov/entries/3DPX-007264

Description: No description available

---

3111. Isoleucine

Link: https://3d.nih.gov/entries/3DPX-007265

Description: No description available

---

3112. Leucine

Link: https://3d.nih.gov/entries/3DPX-007266

Description: No description available

---

3113. Proline

Link: https://3d.nih.gov/entries/3DPX-007267

Description: No description available

---

3114. Valine

Link: https://3d.nih.gov/entries/3DPX-007268

Description: No description available

---

3115. PHENYLALANINE

Link: https://3d.nih.gov/entries/3DPX-007269

Description: No description available

---

3116. Tryptophan

Link: https://3d.nih.gov/entries/3DPX-007270

Description: No description available

---

3117. Aspartic Acid

Link: https://3d.nih.gov/entries/3DPX-007271

Description: No description available

---

3118. Glutamic Acid

Link: https://3d.nih.gov/entries/3DPX-007272

Description: No description available

---

3119. Arginine

Link: https://3d.nih.gov/entries/3DPX-007273

Description: No description available

---

3120. Histidine

Link: https://3d.nih.gov/entries/3DPX-007274

Description: No description available

---

3121. Lysine

Link: https://3d.nih.gov/entries/3DPX-007275

Description: No description available

---

3122. Serine

Link: https://3d.nih.gov/entries/3DPX-007276

Description: No description available

---

3123. Threonine

Link: https://3d.nih.gov/entries/3DPX-007277

Description: No description available

---

3124. Cysteine

Link: https://3d.nih.gov/entries/3DPX-007278

Description: No description available

---

3125. Methionine

Link: https://3d.nih.gov/entries/3DPX-007279

Description: No description available

---

3126. Asparagine

Link: https://3d.nih.gov/entries/3DPX-007280

Description: No description available

---

3127. Glutamine

Link: https://3d.nih.gov/entries/3DPX-007281

Description: No description available

---

3128. Tyrosine

Link: https://3d.nih.gov/entries/3DPX-007282

Description: No description available

---

3129. Cysteine

Link: https://3d.nih.gov/entries/3DPX-007283

Description: No description available

---

3130. Provajuny

Link: https://3d.nih.gov/entries/3DPX-007284

Description: No description available

---

3131. Adenosine Triphosphate

Link: https://3d.nih.gov/entries/3DPX-007289

Description: No description available

---

3132. 4-hydroxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-007292

Description: Tiffany Chen, Hannah Nakamoto, Christina Ricks

---

3133. Amphetamine

Link: https://3d.nih.gov/entries/3DPX-007303

Description: Submitted by Trisha Nguyen, JerriMay Algoso, Ernesto Garibay

---

3134. Amphetamine-JaimesMcCloudPorcino3

Link: https://3d.nih.gov/entries/3DPX-007306

Description: Ana Jaimes, Amaya McCloud. Tsubasa Porcino

---

3135. Amphetamine (Paramveer, Leonard, Ritchie)

Link: https://3d.nih.gov/entries/3DPX-007307

Description: No description available

---

3136. Uracil

Link: https://3d.nih.gov/entries/3DPX-007308

Description: No description available

---

3137. Ni

Link: https://3d.nih.gov/entries/3DPX-007309

Description: No description available

---

3138. 4-hydroxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-007310

Description: Robert You Jason Yu Ryan Sindac

---

3139. Bromodeoxyuridine

Link: https://3d.nih.gov/entries/3DPX-007313

Description: No description available

---

3140. 4-hydroxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-007315

Description: Chidinma Okonkwo Alex Yee Kevin Gilbert

---

3141. Colchicine

Link: https://3d.nih.gov/entries/3DPX-007334

Description: No description available

---

3142. Nocodazole

Link: https://3d.nih.gov/entries/3DPX-007335

Description: No description available

---

3143. Awesome Amphetamine

Link: https://3d.nih.gov/entries/3DPX-007338

Description: Joshua La, Michael Pasillas, Francesca Hummler

---

3144. Amphetamine151

Link: https://3d.nih.gov/entries/3DPX-007339

Description: Wanxin Huang; Shuqing Chen; Shayan Sadre

---

3145. 4-hydroxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-007340

Description: Josh Richardson, Alexander Salcedo, and Edwin Nahapatian

---

3146. AMP

Link: https://3d.nih.gov/entries/3DPX-007342

Description: Adrianna Vega, Nabila Hussain, Sripradha Suresh

---

3147. amphetamine151

Link: https://3d.nih.gov/entries/3DPX-007343

Description: Nicole Ng, Steve Rice, Jaime Polanco

---

3148. Amphetamine (CW, AC, MB)

Link: https://3d.nih.gov/entries/3DPX-007345

Description: Amphetamine. Clark Wang, Alejandro Cruz, Michael Blyumin

---

3149. Amphetamine

Link: https://3d.nih.gov/entries/3DPX-007346

Description: Ani Ohanian May Lo Mehr Rafiei

---

3150. 4-Hydroxyamphetamine

Link: https://3d.nih.gov/entries/3DPX-007350

Description: Ariel Chang Irene Tsao

---

3151. Amphetamine(NR, DP, JK)

Link: https://3d.nih.gov/entries/3DPX-007352

Description: No description available

---

3152. Amphetamine Aaron/Christian/Joseph

Link: https://3d.nih.gov/entries/3DPX-007353

Description: Joseph Rempel Aaron Corpus Christian Leung

---

3153. Amphetamine

Link: https://3d.nih.gov/entries/3DPX-007354

Description: Ryan Thaliffdeen Minh Le Daniella Ayuningputri

---

3154. Amphetamine Molecule - CHEM 151

Link: https://3d.nih.gov/entries/3DPX-007359

Description: Created by Christian Feliciano, Steven Le, and Tai Nguyen.

---

3155. amphetamine (ch, az)

Link: https://3d.nih.gov/entries/3DPX-007366

Description: Christy Hsu, Aixin Zheng

---

3156. Amphetamine YJL

Link: https://3d.nih.gov/entries/3DPX-007368

Description: Younju Lee, Mohammed Najeed, Austin Mosley

---

3157. amphetamine (Lily)

Link: https://3d.nih.gov/entries/3DPX-007376

Description: Lilian Schmidt, Steffen Mevik, Jaebeom Lee

---

3158. 4hydroxyamphetamine

Link: https://3d.nih.gov/entries/3DPX-007378

Description: No description available

---

3159. dapsone

Link: https://3d.nih.gov/entries/3DPX-007379

Description: Dapsone is a sulfone active against a wide range of bacteria but mainly employed for its actions against MYCOBACTERIUM LEPRAE. Its mechanism of action is probably similar to that of the SULFONAMIDE...

---

3160. SMJ_4-hydroxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-007381

Description: Sophia Sunhyung Ahn, Margaret Kim, Jaigon Yoon

---

3161. 4-Hydroxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-007385

Description: Inneke Oetomo, Lawrence Liu, Jessey Villafan

---

3162. AmphetamineOG

Link: https://3d.nih.gov/entries/3DPX-007389

Description: Chris Condon, Andrew Vasiloff, Jessie Davis

---

3163. AmphetamineOG

Link: https://3d.nih.gov/entries/3DPX-007392

Description: Chris Condon, Andrew Vasiloff, Jessie Davis

---

3164. 4-hydroxymethamphetamine

Link: https://3d.nih.gov/entries/3DPX-007393

Description: Lily (Hye Jee) Hahn Andy Chen Chrissy Aceves

---

3165. Apixaban

Link: https://3d.nih.gov/entries/3DPX-007395

Description: No description available

---

3166. JadomycinB

Link: https://3d.nih.gov/entries/3DPX-007401

Description: Jadomycin B

---

3167. Ag29(BDT)12(TPP)4

Link: https://3d.nih.gov/entries/3DPX-007425

Description: No description available

---

3168. dodecaborane

Link: https://3d.nih.gov/entries/3DPX-007436

Description: No description available

---

3169. Fenretinide

Link: https://3d.nih.gov/entries/3DPX-007444

Description: 4-hydroxyphenyl retinamide is a retinoid obtained by formal condensation of the carboxy group of all-trans retinoic acid and the anilino group of 4-hydroxyaniline. Synthetic retinoid agonist. Antip...

---

3170. bq glucosa

Link: https://3d.nih.gov/entries/3DPX-007447

Description: No description available

---

3171. lactosa bq

Link: https://3d.nih.gov/entries/3DPX-007448

Description: No description available

---

3172. Pd BIPI Ligand Complex

Link: https://3d.nih.gov/entries/3DPX-007472

Description: No description available

---

3173. 9,10-Bis[(R)-1-hydroxy-2,2,2-trifluoroethyl]anthracene

Link: https://3d.nih.gov/entries/3DPX-007473

Description: No description available

---

3174. Perfluorooctanesulfonic acid

Link: https://3d.nih.gov/entries/3DPX-007638

Description: Perfluorooctane-1-sulfonic acid is a perfluoroalkanesulfonic acid that is octane-1-sulfonic acid in which all seventeen of the hydrogens that are attached to carbons hvae been replaced by fluorines...

---

3175. Perfluorooctanesulfonamide

Link: https://3d.nih.gov/entries/3DPX-007642

Description: Perfluorooctanesulfonamide is a perfluorinated compound that is perfluorooctane in which one of the terminal fluorines has been replace by a sulfamoyl group. It has a role as a persistent organic p...

---

3176. NB-2

Link: https://3d.nih.gov/entries/3DPX-007664

Description: A small-molecule inhibitor targeting NHR trimer on gp41.

---

3177. Prussian Blue

Link: https://3d.nih.gov/entries/3DPX-007672

Description: No description available

---

3178. (S)-[(4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Link: https://3d.nih.gov/entries/3DPX-007677

Description: No description available

---

3179. Ninlaro

Link: https://3d.nih.gov/entries/3DPX-007710

Description: No description available

---

3180. GDGT-Ia

Link: https://3d.nih.gov/entries/3DPX-007712

Description: No description available

---

3181. Ezetimibe

Link: https://3d.nih.gov/entries/3DPX-007779

Description: No description available

---

3182. THC

Link: https://3d.nih.gov/entries/3DPX-007780

Description: No description available

---

3183. methane test

Link: https://3d.nih.gov/entries/3DPX-007791

Description: No description available

---

3184. 5-Cyanotetrazole

Link: https://3d.nih.gov/entries/3DPX-007792

Description: No description available

---

3185. hematite

Link: https://3d.nih.gov/entries/3DPX-007793

Description: No description available

---

3186. 2D ATP Molecule

Link: https://3d.nih.gov/entries/3DPX-007805

Description: No description available

---

3187. 3D ATP Molecule

Link: https://3d.nih.gov/entries/3DPX-007806

Description: No description available

---

3188. Tenofovir

Link: https://3d.nih.gov/entries/3DPX-007828

Description: Tenofovir (anhydrous) is a member of the class of phosphonic acids that is methylphosphonic acid in which one of the methyl hydrogens is replaced by a [(2R)-1-(6-amino-9H-purin-9-yl)propan-2-yl]oxy...

---

3189. Apigenin

Link: https://3d.nih.gov/entries/3DPX-007830

Description: Apigenin is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. It induces autophagy in leukaemia cells. It has a role as a metabolite and an antineoplastic ...

---

3190. [3,4-Dihydroxy-5-(5-methylbenzimidazol-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Link: https://3d.nih.gov/entries/3DPX-007842

Description: No description available

---

3191. Andiconin

Link: https://3d.nih.gov/entries/3DPX-007847

Description: No description available

---

3192. Fluvoxamine

Link: https://3d.nih.gov/entries/3DPX-007849

Description: No description available

---

3193. Fluvoxamino Acid

Link: https://3d.nih.gov/entries/3DPX-007851

Description: Fluvoxamino acid is a major metabolite of its parental drug fluvoxamine.

---

3194. Desmethylclomipramine

Link: https://3d.nih.gov/entries/3DPX-007852

Description: Desmethylclomipramine is a major metabolite of its parental drug clomipramine

---

3195. Clomipramine

Link: https://3d.nih.gov/entries/3DPX-007853

Description: Commonly traded under the name Anafranil

---

3196. Didemethylclomipramine

Link: https://3d.nih.gov/entries/3DPX-007854

Description: Didemethyclomipramine is a matabolite of desmethylclomipramine, a major metabolite of clomipramine.

---

3197. PheArgAla

Link: https://3d.nih.gov/entries/3DPX-007861

Description: No description available

---

3198. NaCl Crystal

Link: https://3d.nih.gov/entries/3DPX-007865

Description: PDB file from cbc.arizona.edu/~salzmanr/molecule.html

---

3199. Phthalic anhydride

Link: https://3d.nih.gov/entries/3DPX-007866

Description: Phthalic anhydride is the cyclic dicarboxylic anhydride that is the anhydride of phthalic acid. It has a role as an allergen. It is a cyclic dicarboxylic anhydride and a member of 2-benzofurans.

---

3200. Phthalamic acid

Link: https://3d.nih.gov/entries/3DPX-007867

Description: 2-carbamoylbenzoic acid is a carbamoylbenzoic acid.

---

3201. Propylparaben

Link: https://3d.nih.gov/entries/3DPX-007868

Description: Propylparaben is the benzoate ester that is the propyl ester of 4-hydroxybenzoic acid. Preservative typically found in many water-based cosmetics, such as creams, lotions, shampoos and bath product...

---

3202. nevirapine

Link: https://3d.nih.gov/entries/3DPX-007871

Description: A potent, non-nucleoside reverse transcriptase inhibitor (NNRTI) used in combination with nucleoside analogues for treatment of Human Immunodeficiency Virus Type 1 (HIV-1) infection and AIDS. [PubC...

---

3203. AlaLeuIle

Link: https://3d.nih.gov/entries/3DPX-007874

Description: No description available

---

3204. CID 5459882

Link: https://3d.nih.gov/entries/3DPX-007876

Description: No description available

---

3205. Nitric Acid

Link: https://3d.nih.gov/entries/3DPX-007878

Description: No description available

---

3206. Apigenin

Link: https://3d.nih.gov/entries/3DPX-007879

Description: Apigenin is a trihydroxyflavone that is flavone substituted by hydroxy groups at positions 4', 5 and 7. It induces autophagy in leukaemia cells. It has a role as a metabolite and an antineoplastic ...

---

3207. Porphyrin

Link: https://3d.nih.gov/entries/3DPX-007883

Description: Porphyrin is a member of porphyrins and a tetrapyrrole fundamental parent. It has a role as a metabolite.

---

3208. Perampanel

Link: https://3d.nih.gov/entries/3DPX-007887

Description: Perampanel is a member of the class of bipyridines that is 2,3'-bipyridin-6'-one substituted at positions 1' and 5' by phenyl and 2-cyanophenyl groups respectively. Used as an adjunctive therapy fo...

---

3209. phosphorene

Link: https://3d.nih.gov/entries/3DPX-007907

Description: No description available

---

3210. FeCl2

Link: https://3d.nih.gov/entries/3DPX-007914

Description: No description available

---

3211. Glycerol

Link: https://3d.nih.gov/entries/3DPX-007928

Description: No description available

---

3212. Alizarin

Link: https://3d.nih.gov/entries/3DPX-007930

Description: No description available

---

3213. Tepoxalin

Link: https://3d.nih.gov/entries/3DPX-007944

Description: No description available

---

3214. AGN192403

Link: https://3d.nih.gov/entries/3DPX-007945

Description: No description available

---

3215. BRD5653

Link: https://3d.nih.gov/entries/3DPX-007947

Description: No description available

---

3216. Morphine

Link: https://3d.nih.gov/entries/3DPX-007948

Description: No description available

---

3217. Maxicalcitol

Link: https://3d.nih.gov/entries/3DPX-007951

Description: No description available

---

3218. Baricitinib

Link: https://3d.nih.gov/entries/3DPX-007952

Description: No description available

---

3219. Glucose

Link: https://3d.nih.gov/entries/3DPX-007959

Description: No description available

---

3220. pyruvate

Link: https://3d.nih.gov/entries/3DPX-007960

Description: No description available

---

3221. NADH

Link: https://3d.nih.gov/entries/3DPX-007961

Description: No description available

---

3222. fadh

Link: https://3d.nih.gov/entries/3DPX-007962

Description: No description available

---

3223. fadh2

Link: https://3d.nih.gov/entries/3DPX-007963

Description: No description available

---

3224. Acetyl-CoA

Link: https://3d.nih.gov/entries/3DPX-007964

Description: No description available

---

3225. CO2

Link: https://3d.nih.gov/entries/3DPX-007967

Description: No description available

---

3226. h2o

Link: https://3d.nih.gov/entries/3DPX-007968

Description: No description available

---

3227. 2-(4-Phenylpiperidin-1-yl)pyridin-3-amine

Link: https://3d.nih.gov/entries/3DPX-007991

Description: No description available

---

3228. 7-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-1,3-dimethyl-8-morpholino-3,7-dihydro-1H-purine-2,6-dione

Link: https://3d.nih.gov/entries/3DPX-007993

Description: No description available

---

3229. Aflatoxin B1 (AFB1)

Link: https://3d.nih.gov/entries/3DPX-008002

Description: No description available

---

3230. AFB1-GSH Conjugate

Link: https://3d.nih.gov/entries/3DPX-008003

Description: No description available

---

3231. 1,​4-​Methanonaphthalene-​5,​8-​dione, 1,​4-​dihydro-

Link: https://3d.nih.gov/entries/3DPX-008008

Description: No description available

---

3232. pentacyclo[5.4.0.0(2,6).0(3,10).0(5,9)]undecane 8,11-dione

Link: https://3d.nih.gov/entries/3DPX-008009

Description: No description available

---

3233. Deanol

Link: https://3d.nih.gov/entries/3DPX-008011

Description: N,N-dimethylethanolamine is a tertiary amine that is ethanolamine having two N-methyl substituents. It has a role as a curing agent and a radical scavenger. It is a tertiary amine and a member of e...

---

3234. 1,4,4a,8a-tetrahydro-endo-1,4-methanonaphthalene-5,8-dione

Link: https://3d.nih.gov/entries/3DPX-008034

Description: No description available

---

3235. Afatinib

Link: https://3d.nih.gov/entries/3DPX-008035

Description: Afatinib is a quinazoline compound having a 3-chloro-4-fluoroanilino group at the 4-position, a 4-dimethylamino-trans-but-2-enamido group at the 6-position, and an (S)-tetrahydrofuran-3-yloxy group...

---

3236. meta-Phosphoric acid

Link: https://3d.nih.gov/entries/3DPX-008039

Description: Phosphonate(1-) is a monovalent inorganic anion obtained by deprotonation of one of the two OH groups in phosphonic acid. It is a phosphorus oxoanion and a monovalent inorganic anion. It is a conju...

---

3237. INOSITOL HEXAKISPHOSPHATE

Link: https://3d.nih.gov/entries/3DPX-008043

Description: INOSITOL HEXAKISPHOSPHATE from chain A of 3EEB Deposition author(s) of 3EEB are Lupardus, P.J., Shen, A., Bogyo, M., Garcia, K.C.

---

3238. Adenosine monophosphate

Link: https://3d.nih.gov/entries/3DPX-008062

Description: Adenosine 5'-monophosphate is a purine ribonucleoside 5'-monophosphate having adenine as the nucleobase. It has a role as an EC 3.1.3.11 (fructose-bisphosphatase) inhibitor, an EC 3.1.3.1 (alkaline...

---

3239. 2-Naphthalenecarboxamide, N,N'-(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis[3-hydroxy-

Link: https://3d.nih.gov/entries/3DPX-008063

Description: No description available

---

3240. 3-Bromopyruvic acid

Link: https://3d.nih.gov/entries/3DPX-008064

Description: 3-bromopyruvic acid is a 2-oxo monocarboxylic acid that is pyruvic acid in which one of the methyl hydrogens is replaced by bromine. Synthetic brominated derivative and structural analog of pyruvic...

---

3241. Dichloromethane-d2

Link: https://3d.nih.gov/entries/3DPX-008069

Description: Dichloromethane-d2 is a deuterated compound, a member of chloromethanes and a volatile organic compound.

---

3242. Allene

Link: https://3d.nih.gov/entries/3DPX-008070

Description: PROPADIENE, STABILIZED is a colorless flammable gas. May become unstable. Not toxic but asphyxiation may occur because of displacement of oxygen. Under prolonged exposure to fire or heat the contai...

---

3243. Indoline

Link: https://3d.nih.gov/entries/3DPX-008073

Description: Indoline is a member of indoles.

---

3244. Caffein

Link: https://3d.nih.gov/entries/3DPX-008076

Description: No description available

---

3245. Curcumin

Link: https://3d.nih.gov/entries/3DPX-008084

Description: Curcumin is a beta-diketone that is methane in which two of the hydrogens are substituted by feruloyl groups. A natural dyestuff found in the root of Curcuma longa. It has a role as a metabolite, a...

---

3246. Luminol

Link: https://3d.nih.gov/entries/3DPX-008087

Description: No description available

---

3247. Zidovudine

Link: https://3d.nih.gov/entries/3DPX-008088

Description: Zidovudine is a pyrimidine 2',3'-dideoxyribonucleoside compound having a 3'-azido substituent and thymine as the nucleobase. It has a role as an antiviral drug, an antimetabolite and a HIV-1 revers...

---

3248. Trimethylaluminum (TMA)

Link: https://3d.nih.gov/entries/3DPX-008090

Description: No description available

---

3249. Parametric H2O crystal structure

Link: https://3d.nih.gov/entries/3DPX-008091

Description: Ice crystal structure parametric model October 2017 Ismo T.S. Heikkinen Aalto University ELEC-L3999 3D Printing of Open Source Hardware for Science Licensed under Creative Comm...

---

3250. Apigenin_D34

Link: https://3d.nih.gov/entries/3DPX-008095

Description: No description available

---

3251. Graphite sheet parametric model

Link: https://3d.nih.gov/entries/3DPX-008098

Description: STL and parametric OpenSCAD model of a graphite sheet (a.k.a graphene). With the parameters in OpenSCAD file you can define the sizes of the carbon atoms and the bonds between them. Also the amount...

---

3252. Zeolite LTA (3 parts)

Link: https://3d.nih.gov/entries/3DPX-008099

Description: The model contains three parts for building the unit cell of zeolite TLT.

---

3253. Spinel crystal structure

Link: https://3d.nih.gov/entries/3DPX-008101

Description: 3D model of a spinel's (MgAl2O4) cubic crystal structure (5x5x5 cube). STL file monochrome, OpenSCAD file tri-color. Within OpenSCAD file, the atom sizes can be changed; in this, the mg and al size...

---

3254. Silicon Carbide 2H

Link: https://3d.nih.gov/entries/3DPX-008102

Description: Unit cell of silicon carbide Alpha (2H-SiC) - STL file Printing can be performed by Cura suggested support structures, which in a later stage can be detached fairly easily from an actual prin...

---

3255. Faujasite

Link: https://3d.nih.gov/entries/3DPX-008105

Description: Unit cell for faujasite

---

3256. Pervoskite

Link: https://3d.nih.gov/entries/3DPX-008106

Description: No description available

---

3257. C.I. Pigment Violet 1

Link: https://3d.nih.gov/entries/3DPX-008108

Description: Rhodamine B(1+) is a cationic fluorescent dye derived from 9-phenylxanthene. It has a role as a fluorochrome. It is an organic cation and a xanthene dye.

---

3258. Wurtzite Crystal Structure

Link: https://3d.nih.gov/entries/3DPX-008112

Description: Wurtzite Crystal Structure modelled with haskell that generates OpenSCAD model code. Parameter adjustment can be done from the haskell code.

---

3259. Enantiomers Model for Organic Chemistry Students

Link: https://3d.nih.gov/entries/3DPX-008113

Description: This simple model was used as an example of how one molecule may be able to fit into the active site of an enzyme but its enantiomer may not.

---

3260. Spinel crystal structure v2

Link: https://3d.nih.gov/entries/3DPX-008114

Description: 3D printable model of spinel, MgAl2O4 and its crystal structure (5x5x5 cubic) for educational and illustrative purposes, with OpenSCAD file for further changes. (Based on information at Chemtube.) ...

---

3261. Alpha Quartz

Link: https://3d.nih.gov/entries/3DPX-008115

Description: 3D models (created by OpenSCAD, fully printable) for creating alpha quartz crystal. Basic atom model can be used to crease an atom with any number of bonds at any angle; this gives high flexibility...

---

3262. Diamond

Link: https://3d.nih.gov/entries/3DPX-008116

Description: Diamond ( /ˈdaɪəmənd/ or /ˈdaɪmənd/) is a metastable allotrope of carbon, where the carbon atoms are arranged in a variation of the face-centered cubic crystal structure called a diamond lattice. C...

---

3263. Pyrite crystal structure

Link: https://3d.nih.gov/entries/3DPX-008117

Description: 3D-printable unit cell of pyrite crystal structure.

---

3264. 2,3,7,8-Tetrachlorodibenzo-P-dioxin

Link: https://3d.nih.gov/entries/3DPX-008118

Description: 2,3,7,8-tetrachlorodibenzodioxine is a polychlorinated dibenzodioxine.

---

3265. Fluorite

Link: https://3d.nih.gov/entries/3DPX-008120

Description: No description available

---

3266. Rutile Unit Structure

Link: https://3d.nih.gov/entries/3DPX-008121

Description: No description available

---

3267. Sphalerite unit cell (parametric model)

Link: https://3d.nih.gov/entries/3DPX-008123

Description: Sphalerite unit cell (parametric model) https://en.wikipedia.org/wiki/Sphalerite Kasper Dienel Aalto University, ELEC-L3999 3D Printing of Open Source Hardware for Science The model is parametric. ...

---

3268. Model building kit for tetrahedrally bonded diatomic crystals

Link: https://3d.nih.gov/entries/3DPX-008126

Description: Model building kit for tetrahedrally bonded diatomic crystals: Examples of possible crystals you can build with this kit are Wurtzite and Zinc Blende.

---

3269. Hendriks present

Link: https://3d.nih.gov/entries/3DPX-008127

Description: No description available

---

3270. Fluorite

Link: https://3d.nih.gov/entries/3DPX-008132

Description: No description available

---

3271. Cyclohexene oxide

Link: https://3d.nih.gov/entries/3DPX-008133

Description: No description available

---

3272. SiC

Link: https://3d.nih.gov/entries/3DPX-008134

Description: No description available

---

3273. Pyridoxal Phosphate

Link: https://3d.nih.gov/entries/3DPX-008135

Description: No description available

---

3274. beta-Lactose

Link: https://3d.nih.gov/entries/3DPX-008147

Description: Beta-lactose is the beta-anomer of lactose.

---

3275. Bromine

Link: https://3d.nih.gov/entries/3DPX-008148

Description: Br2, Bromine

---

3276. (1R,2S,3R,9S)-3-(3-fluorophenyl)-5-imino-12-methyl-12-azatricyclo[7.2.1.02,7]dodec-7-ene-4,4,6-tricarbonitrile

Link: https://3d.nih.gov/entries/3DPX-008158

Description: No description available

---

3277. 5FBL inhibitor

Link: https://3d.nih.gov/entries/3DPX-008160

Description: No description available

---

3278. 5FBL inhibitor 5W9

Link: https://3d.nih.gov/entries/3DPX-008161

Description: No description available

---

3279. Styrene

Link: https://3d.nih.gov/entries/3DPX-008168

Description: No description available

---

3280. Proline Molecule

Link: https://3d.nih.gov/entries/3DPX-008170

Description: Proline is an a-amino acid whose codons are CCU, CCC, CCA, and CCG. It is not an essential amino acid, which means that humans can synthesize it. It is unique among the 20 protein-forming amino aci...

---

3281. Mustard gas

Link: https://3d.nih.gov/entries/3DPX-008171

Description: Bis(2-chloroethyl) sulfide is an ethyl sulfide that is diethyl sulfide in which a hydrogen from each of the terminal methyl groups is replaced by a chlorine. It is a powerful vesicant regulated und...

---

3282. 5328-37-0

Link: https://3d.nih.gov/entries/3DPX-008172

Description: No description available

---

3283. cdpi3

Link: https://3d.nih.gov/entries/3DPX-008183

Description: No description available

---

3284. Aspartame

Link: https://3d.nih.gov/entries/3DPX-008199

Description: No description available

---

3285. 2-Propynal

Link: https://3d.nih.gov/entries/3DPX-008205

Description: Prop-2-ynal is a ynal and a terminal acetylenic compound. It has a role as a mouse metabolite.

---

3286. formic acid

Link: https://3d.nih.gov/entries/3DPX-008219

Description: No description available

---

3287. methanol

Link: https://3d.nih.gov/entries/3DPX-008220

Description: No description available

---

3288. water

Link: https://3d.nih.gov/entries/3DPX-008221

Description: No description available

---

3289. ammonium

Link: https://3d.nih.gov/entries/3DPX-008222

Description: No description available

---

3290. hydronium

Link: https://3d.nih.gov/entries/3DPX-008223

Description: No description available

---

3291. Glycine Molecule

Link: https://3d.nih.gov/entries/3DPX-008224

Description: Glycine is the amino acid with the formula HO2CCH2NH2. It is coded by codons GGU, GGC, GGA and GGG. Most proteins contain only small quantities of glycine. An exception is collagen, which contains ...

---

3292. Hydroxychloroquine

Link: https://3d.nih.gov/entries/3DPX-008227

Description: No description available

---

3293. D-Mannose

Link: https://3d.nih.gov/entries/3DPX-008254

Description: D-Mannose is a carbohydrate. High-mannose-type oligosaccharides have been shown to play important roles in protein quality control. Several intracellular proteins, such as lectins, chaperones and g...

---

3294. Diethylcarbamazine

Link: https://3d.nih.gov/entries/3DPX-008255

Description: No description available

---

3295. 2,4,6-Triphenylpyrylium

Link: https://3d.nih.gov/entries/3DPX-008261

Description: No description available

---

3296. Co2FeSi

Link: https://3d.nih.gov/entries/3DPX-008264

Description: Co2FeSi Heusler crystal structure

---

3297. Co2FeSi PDB

Link: https://3d.nih.gov/entries/3DPX-008266

Description: No description available

---

3298. 1MP6

Link: https://3d.nih.gov/entries/3DPX-008269

Description: No description available

---

3299. Tether Ruthenium(II) complex

Link: https://3d.nih.gov/entries/3DPX-008276

Description: No description available

---

3300. Adenosina

Link: https://3d.nih.gov/entries/3DPX-008279

Description: No description available

---

3301. DMT

Link: https://3d.nih.gov/entries/3DPX-008280

Description: No description available

---

3302. CID 9809715

Link: https://3d.nih.gov/entries/3DPX-008281

Description: Nintedanib is a drug indicated for the treatment of idiopathic pulmonary fibrosis (IPF) that targets multiple receptor tyrosine kinases (RTKs) and non-receptor tyrosine kinases (nRTKs). Nintedanib ...

---

3303. 2-Chloro-ATP

Link: https://3d.nih.gov/entries/3DPX-008282

Description: No description available

---

3304. Yeast mitochondrial

Link: https://3d.nih.gov/entries/3DPX-008283

Description: No description available

---

3305. PCl5

Link: https://3d.nih.gov/entries/3DPX-008290

Description: No description available

---

3306. tert-Butanol

Link: https://3d.nih.gov/entries/3DPX-008291

Description: Tert-butanol is a tertiary alcohol alcohol that is isobutane substituted by a hydroxy group at position 2. It has a role as a human xenobiotic metabolite. It derives from a hydride of an isobutane.

---

3307. 2-Bromo-3-methylbutane

Link: https://3d.nih.gov/entries/3DPX-008292

Description: No description available

---

3308. HKUST-1

Link: https://3d.nih.gov/entries/3DPX-008298

Description: No description available

---

3309. caffeine

Link: https://3d.nih.gov/entries/3DPX-008300

Description: No description available

---

3310. Alprazolam

Link: https://3d.nih.gov/entries/3DPX-008302

Description: No description available

---

3311. QM transition state of ssGDH

Link: https://3d.nih.gov/entries/3DPX-008309

Description: No description available

---

3312. Hepatitis B vaccine from nih.gov

Link: https://3d.nih.gov/entries/3DPX-008310

Description: Hepatitis B vaccine from nih.gov

---

3313. Maleic acid

Link: https://3d.nih.gov/entries/3DPX-008311

Description: Maleic acid is a butenedioic acid in which the double bond has cis- (Z)-configuration. It has a role as a plant metabolite, an algal metabolite and a mouse metabolite. It is a conjugate acid of a m...

---

3314. 3,4-Dihydroxy-3-cyclobutene-1,2-dione

Link: https://3d.nih.gov/entries/3DPX-008314

Description: Squaric acid is a carbon oxoacid that consists of 1,2-diketocyclobut-3-ene bearing two enolic hydroxy substituents at positions 3 and 4. It has a role as a metabolite. It is a carbon oxoacid and an...

---

3315. Benzyl methanesulfonate

Link: https://3d.nih.gov/entries/3DPX-008315

Description: No description available

---

3316. Diethylaminosulfur trifluoride

Link: https://3d.nih.gov/entries/3DPX-008316

Description: No description available

---

3317. Vibralactone

Link: https://3d.nih.gov/entries/3DPX-008317

Description: No description available

---

3318. Isosophoridane

Link: https://3d.nih.gov/entries/3DPX-008318

Description: No description available

---

3319. Squarate

Link: https://3d.nih.gov/entries/3DPX-008319

Description: No description available

---

3320. Benzyl Alcohol KT

Link: https://3d.nih.gov/entries/3DPX-008320

Description: No description available

---

3321. Indole - AMI

Link: https://3d.nih.gov/entries/3DPX-008321

Description: No description available

---

3322. 1,1,1-trifluorohexan-3-ol - Ben

Link: https://3d.nih.gov/entries/3DPX-008322

Description: No description available

---

3323. kcsa_filter

Link: https://3d.nih.gov/entries/3DPX-008333

Description: No description available

---

3324. Ibrutinib

Link: https://3d.nih.gov/entries/3DPX-008346

Description: Ibrutinib is a member of the class of acrylamides that is (3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine in which the piperidine nitrogen is replaced by an acryloyl gro...

---

3325. Nitrogen triiodide

Link: https://3d.nih.gov/entries/3DPX-008349

Description: No description available

---

3326. KP14

Link: https://3d.nih.gov/entries/3DPX-008368

Description: No description available

---

3327. Anthracite

Link: https://3d.nih.gov/entries/3DPX-008374

Description: A natural fuel formed by partial decomposition of vegetable matter under certain environmental conditions.

---

3328. Methoxide

Link: https://3d.nih.gov/entries/3DPX-008376

Description: Methoxide is an organic anion that is the conjugate base of methanol. It has a role as a human metabolite. It is a conjugate base of a methanol.

---

3329. JUN FOS atoms

Link: https://3d.nih.gov/entries/3DPX-008377

Description: No description available

---

3330. Isopentane

Link: https://3d.nih.gov/entries/3DPX-008381

Description: Isopentane is an alkane that is butane substituted by a methyl group at position 2. It has a role as a refrigerant.

---

3331. N-((3,5-Dichlorophenyl)methylene)-4-(4-(4-methylphenyl)-1-piperazinyl)benzenamine

Link: https://3d.nih.gov/entries/3DPX-008392

Description: No description available

---

3332. 3,3-Dimethyl-2-hexanone

Link: https://3d.nih.gov/entries/3DPX-008401

Description: No description available

---

3333. Dihydrogen

Link: https://3d.nih.gov/entries/3DPX-008402

Description: No description available

---

3334. Taxa-4,11-diene

Link: https://3d.nih.gov/entries/3DPX-008403

Description: Taxa-4,11-diene is a diterpene consisting of taxane having two C=C double bonds at the 4(5)- and 11(12)-positions. It derives from a hydride of a taxane.

---

3335. 2-acetamido-2-deoxy-beta-D-glucopyranose

Link: https://3d.nih.gov/entries/3DPX-008404

Description: Chitin is an aminoglycan consisting of beta-(1->4)-linked N-acetyl-D-glucosamine residues. It has a role as a vulnerary, a human metabolite, a Saccharomyces cerevisiae metabolite and a mouse metabo...

---

3336. 1,2-Diphenylethanol Buckminsterfullerene

Link: https://3d.nih.gov/entries/3DPX-008405

Description: A modified buckminsterfullerene molecule with the side chain 1,2 - Diphenylethanol.

---

3337. Dimethoxyethane

Link: https://3d.nih.gov/entries/3DPX-008410

Description: No description available

---

3338. LiTFSi

Link: https://3d.nih.gov/entries/3DPX-008411

Description: No description available

---

3339. Tetrahedral Molecular Cage

Link: https://3d.nih.gov/entries/3DPX-008413

Description: No description available

---

3340. PAM

Link: https://3d.nih.gov/entries/3DPX-008425

Description: No description available

---

3341. [4-(4-Methoxyphenoxy)phenyl]-(4-methylphenyl)methanone

Link: https://3d.nih.gov/entries/3DPX-008435

Description: No description available

---

3342. Silver zirconium Phosphate

Link: https://3d.nih.gov/entries/3DPX-008442

Description: No description available

---

3343. Doxorubicin

Link: https://3d.nih.gov/entries/3DPX-008445

Description: Doxorubicin; Adriamycin; Doxil; 23214-92-8; Adriablastin; Doxorubicine

---

3344. Glycol stearate; Polyethylene glycol monostearate

Link: https://3d.nih.gov/entries/3DPX-008446

Description: No description available

---

3345. Fluorescein

Link: https://3d.nih.gov/entries/3DPX-008447

Description: No description available

---

3346. Propidium Iodide

Link: https://3d.nih.gov/entries/3DPX-008448

Description: No description available

---

3347. Calcein

Link: https://3d.nih.gov/entries/3DPX-008449

Description: No description available

---

3348. genome model

Link: https://3d.nih.gov/entries/3DPX-008452

Description: No description available

---

3349. Ozanimod

Link: https://3d.nih.gov/entries/3DPX-008453

Description: Ozanimod has been used in trials studying the treatment of Crohn's Disease, Ulcerative Colitis, Multiple Sclerosis, and Relapsing Multiple Sclerosis.

---

3350. Tetrabutylammonium

Link: https://3d.nih.gov/entries/3DPX-008454

Description: Tetrabutylammonium is a quaternary ammonium ion.

---

3351. Alpha Quartz

Link: https://3d.nih.gov/entries/3DPX-008466

Description: No description available

---

3352. Alpha Quartz (-1 to 1)

Link: https://3d.nih.gov/entries/3DPX-008467

Description: No description available

---

3353. a fragment of chromosome 11

Link: https://3d.nih.gov/entries/3DPX-008468

Description: No description available

---

3354. Dimethylheptylpyran

Link: https://3d.nih.gov/entries/3DPX-008472

Description: No description available

---

3355. Diacetylmorphine 7,8-oxide

Link: https://3d.nih.gov/entries/3DPX-008473

Description: No description available

---

3356. 1-Ethyl-3,5-dimethylbenzene

Link: https://3d.nih.gov/entries/3DPX-008474

Description: No description available

---

3357. Batrachotoxin

Link: https://3d.nih.gov/entries/3DPX-008475

Description: No description available

---

3358. Strychnine

Link: https://3d.nih.gov/entries/3DPX-008476

Description: Strychnine is a monoterpenoid indole alkaloid that is strychnidine bearing a keto substituent at the 10-position. It has a role as an avicide, a glycine receptor antagonist, a cholinergic antagonis...

---

3359. N-[2-[[2-phenyl-6-[4-(3-phenylpropyl)piperazine-1-carbonyl]-7H-pyrrolo[3,2-e]pyrimidin-4-yl]amino]ethyl]acetamide

Link: https://3d.nih.gov/entries/3DPX-008479

Description: No description available

---

3360. 1-[(1r,6r)-9-Azabicyclo[4.2.1]non-2-En-2-Yl]ethanone

Link: https://3d.nih.gov/entries/3DPX-008480

Description: No description available

---

3361. Efavirenz

Link: https://3d.nih.gov/entries/3DPX-008482

Description: Efavirenz is 1,4-Dihydro-2H-3,1-benzoxazin-2-one substituted at the 4 position by cyclopropylethynyl and trifluoromethyl groups (S configuration) and at the 6 position by chlorine. A non-nucleoside...

---

3362. Adenosine-5'-pentaphosphate

Link: https://3d.nih.gov/entries/3DPX-008483

Description: Adenosine 5'-(hexahydrogen pentaphosphate) is a nucleoside pentaphosphate that is adenosine in which a hexahydrogen pentaphosphate is attached at the 5' position. It is an adenosine 5'-phosphate an...

---

3363. Clobetasol propionate

Link: https://3d.nih.gov/entries/3DPX-008484

Description: Clobetasol propionate is the 17-O-propionate ester of clobetasol. A potent corticosteroid, it is used to treat various skin disorders, including exzema and psoriasis. It has a role as an anti-infla...

---

3364. 2-(4-((Z)-1,2-Diphenylethenyl)phenoxy)-N,N-dimethylethanamine

Link: https://3d.nih.gov/entries/3DPX-008485

Description: No description available

---

3365. Epothilone D

Link: https://3d.nih.gov/entries/3DPX-008486

Description: Epothilone D is an epithilone that is epithilone C in which the hydrogen at position 13 of the oxacyclohexadec-13-ene-2,6-dione macrocycle has been replaced by a methyl group. It has a role as a mi...

---

3366. 13-desmethylspirolide C

Link: https://3d.nih.gov/entries/3DPX-008487

Description: No description available

---

3367. Aconitine

Link: https://3d.nih.gov/entries/3DPX-008489

Description: Aconitine is a diterpenoid that is 20-ethyl-3alpha,13,15alpha-trihydroxy-1alpha,6alpha,16beta-trimethoxy-4-(methoxymethyl)aconitane-8,14alpha-diol having acetate and benzoate groups at the 8- and 1...

---

3368. Asebotoxin I

Link: https://3d.nih.gov/entries/3DPX-008490

Description: No description available

---

3369. Fluroxypyr-meptyl

Link: https://3d.nih.gov/entries/3DPX-008491

Description: No description available

---

3370. N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

Link: https://3d.nih.gov/entries/3DPX-008493

Description: No description available

---

3371. D-Xylopyranose, 1,2,3,4-tetrakis-O-(trimethylsilyl)-

Link: https://3d.nih.gov/entries/3DPX-008494

Description: No description available

---

3372. 4,4'-(6-(2-(Difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine

Link: https://3d.nih.gov/entries/3DPX-008495

Description: ZSTK-474 is a triamino-1,3,5-triazine that is 1,3,5-triazine in which two of the hydrogens have been replaced by morpholin-4-yl groups while the third hydrogen has been replaced by a 2-(difluoromet...

---

3373. 7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate

Link: https://3d.nih.gov/entries/3DPX-008496

Description: No description available

---

3374. 3-Indolepropionic acid

Link: https://3d.nih.gov/entries/3DPX-008502

Description: No description available

---

3375. UiO-66

Link: https://3d.nih.gov/entries/3DPX-008509

Description: No description available

---

3376. dTTP

Link: https://3d.nih.gov/entries/3DPX-008510

Description: No description available

---

3377. Me

Link: https://3d.nih.gov/entries/3DPX-008511

Description: No description available

---

3378. 2ddttp

Link: https://3d.nih.gov/entries/3DPX-008513

Description: No description available

---

3379. md-3d

Link: https://3d.nih.gov/entries/3DPX-008515

Description: No description available

---

3380. 1-Phenylethylamine

Link: https://3d.nih.gov/entries/3DPX-008543

Description: 1-phenylethylamine is a phenylethylamine that is ethylamine substituted by a phenyl group at position 1. It has a role as a human metabolite.

---

3381. Diazidomethyleneazine

Link: https://3d.nih.gov/entries/3DPX-008547

Description: No description available

---

3382. Streptomycin

Link: https://3d.nih.gov/entries/3DPX-008550

Description: No description available

---

3383. borax

Link: https://3d.nih.gov/entries/3DPX-008554

Description: No description available

---

3384. Chlorine

Link: https://3d.nih.gov/entries/3DPX-008561

Description: Dichlorine is a diatomic chlorine and a gas molecular entity. It has a role as a bleaching agent.

---

3385. Homoleptic U(III) and U(IV) amidate complexes

Link: https://3d.nih.gov/entries/3DPX-008562

Description: No description available

---

3386. Carfentanil

Link: https://3d.nih.gov/entries/3DPX-008566

Description: Carfentanil is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of methyl 4-anilino-1-(2-phenylethyl)piperidine-4-carboxylate with propanoic acid. It has a...

---

3387. CID 3038241

Link: https://3d.nih.gov/entries/3DPX-008567

Description: A compound that contains a reduced purine ring system but is not biosynthetically related to the purine alkaloids. It is a poison found in certain edible mollusks at certain times; elaborated by GO...

---

3388. Spheroidine

Link: https://3d.nih.gov/entries/3DPX-008568

Description: An aminoperhydroquinazoline poison found mainly in the liver and ovaries of fishes in the order tetraodontiformes, which are eaten. The toxin causes paresthesia and paralysis through interference w...

---

3389. Thioacetone

Link: https://3d.nih.gov/entries/3DPX-008570

Description: Thioacetone is a thioketone.

---

3390. adenosylcobalamin

Link: https://3d.nih.gov/entries/3DPX-008579

Description: No description available

---

3391. 3,4,9,10-Perylenetetracarboxylic Diimide

Link: https://3d.nih.gov/entries/3DPX-008581

Description: Perylenediimide is the 3,4,9,10-tetracarboxylic diimide derivative of perylene. It has a role as a fluorochrome. It is an organic heteropolycyclic compound and a dicarboximide.

---

3392. 31h-Phthalocyanine

Link: https://3d.nih.gov/entries/3DPX-008582

Description: Phthalocyanine is under investigation in clinical trial NCT00103246 (Photodynamic Therapy Using Silicon Phthalocyanine 4 in Treating Patients With Actinic Keratosis, Bowen's Disease, Skin Cancer, o...

---

3393. 5-Methylundecane

Link: https://3d.nih.gov/entries/3DPX-008583

Description: No description available

---

3394. Sinigrin

Link: https://3d.nih.gov/entries/3DPX-008586

Description: Sinigrin is found in brassicas. Sinigrin is isolated from seeds of black mustard (Brassica nigra) and cabbage, as K salt. Sinigrin is present in many crucifers, major glucosinolate in Brussels spro...

---

3395. Homoleptic U(III) and U(IV) amidate complexes

Link: https://3d.nih.gov/entries/3DPX-008587

Description: No description available

---

3396. Hexaphenylbenzene

Link: https://3d.nih.gov/entries/3DPX-008588

Description: No description available

---

3397. Chlorophyll-A

Link: https://3d.nih.gov/entries/3DPX-008599

Description: No description available

---

3398. test-cinn-3d-mol-acd-w-h2

Link: https://3d.nih.gov/entries/3DPX-008603

Description: No description available

---

3399. Trimethylsilyl 3-trimethylsilyloxydecanoate

Link: https://3d.nih.gov/entries/3DPX-008604

Description: No description available

---

3400. Fentanyl

Link: https://3d.nih.gov/entries/3DPX-008605

Description: Fentanyl is a monocarboxylic acid amide resulting from the formal condensation of the aryl amino group of N-phenyl-1-(2-phenylethyl)piperidin-4-amine with propanoic acid. It has a role as an opioid...

---

3401. Chlorophyll-A

Link: https://3d.nih.gov/entries/3DPX-008611

Description: No description available

---

3402. Chlorophyll

Link: https://3d.nih.gov/entries/3DPX-008613

Description: No description available

---

3403. Rotenone

Link: https://3d.nih.gov/entries/3DPX-008614

Description: No description available

---

3404. Acrylamide

Link: https://3d.nih.gov/entries/3DPX-008640

Description: No description available

---

3405. Mycotoxins

Link: https://3d.nih.gov/entries/3DPX-008644

Description: No description available

---

3406. Mycotoxins

Link: https://3d.nih.gov/entries/3DPX-008645

Description: No description available

---

3407. Mycotoxins

Link: https://3d.nih.gov/entries/3DPX-008646

Description: No description available

---

3408. Mycotoxins

Link: https://3d.nih.gov/entries/3DPX-008647

Description: No description available

---

3409. Mycotoxins

Link: https://3d.nih.gov/entries/3DPX-008648

Description: No description available

---

3410. Mycotoxins

Link: https://3d.nih.gov/entries/3DPX-008649

Description: No description available

---

3411. Tetraazobenzenemethane t-Bu

Link: https://3d.nih.gov/entries/3DPX-008654

Description: No description available

---

3412. D-Lactic acid

Link: https://3d.nih.gov/entries/3DPX-008661

Description: (R)-lactic acid is an optically active form of lactic acid having (R)-configuration. It has a role as an Escherichia coli metabolite and a human metabolite. It is a conjugate acid of a (R)-lactate....

---

3413. L-Lactic acid

Link: https://3d.nih.gov/entries/3DPX-008662

Description: (S)-lactic acid is an optically active form of lactic acid having (S)-configuration. It has a role as an Escherichia coli metabolite and a human metabolite. It is a 2-hydroxypropanoic acid and a (2...

---

3414. The enantiomer and stereoisomer

Link: https://3d.nih.gov/entries/3DPX-008664

Description: No description available

---

3415. The enantiomer and stereoisomer 2

Link: https://3d.nih.gov/entries/3DPX-008665

Description: No description available

---

3416. The enantiomer and stereoisomer 3

Link: https://3d.nih.gov/entries/3DPX-008666

Description: No description available

---

3417. The enantiomer and stereoisomer 4

Link: https://3d.nih.gov/entries/3DPX-008667

Description: No description available

---

3418. Ficusnotadiol

Link: https://3d.nih.gov/entries/3DPX-008673

Description: No description available

---

3419. 5-Pentyl-2-[(6R)-6beta-(1-methylethenyl)-3-methyl-2-cyclohexenyl]benzene-1,3-diol

Link: https://3d.nih.gov/entries/3DPX-008680

Description: No description available

---

3420. Tideglusib

Link: https://3d.nih.gov/entries/3DPX-008687

Description: Tideglusib is a member of the class of thiadiazolidines that is 1,2,4-thiadiazolidine-3,5-dione which is substituted by a naphthalen-1-yl group at position 2 and by a benzyl group at position 4. It...

---

3421. Diethyl Ether

Link: https://3d.nih.gov/entries/3DPX-008688

Description: Diethyl Ether via the NIH PubChem database

---

3422. neck

Link: https://3d.nih.gov/entries/3DPX-008690

Description: No description available

---

3423. neck2

Link: https://3d.nih.gov/entries/3DPX-008691

Description: No description available

---

3424. Acetylacetone

Link: https://3d.nih.gov/entries/3DPX-008694

Description: Acetylacetone is a beta-diketone that is pentane in which the hydrogens at positions 2 and 4 are replaced by oxo groups. It is a conjugate acid of an acetylacetonate.

---

3425. D-Erythrose

Link: https://3d.nih.gov/entries/3DPX-008704

Description: D-erythrose is the D-enantiomer of erythrose. It has a role as a plant metabolite. It is an enantiomer of a L-erythrose.

---

3426. L-Erythrose

Link: https://3d.nih.gov/entries/3DPX-008705

Description: L-erythrose is the L-enantiomer of erythrose. It is an enantiomer of a D-erythrose.

---

3427. 2-(4-Chlorophenyl)glycidic acid, tert-butyl ester

Link: https://3d.nih.gov/entries/3DPX-008706

Description: No description available

---

3428. 3-Methyl-2-butanol

Link: https://3d.nih.gov/entries/3DPX-008707

Description: 3-methyl-2-butanol is a secondary alcohol that is 2-butanol carrying an additional methyl substituent at position 3. It has a role as a polar solvent and a plant metabolite. It derives from a hydri...

---

3429. 2-Methyl-2-butanol

Link: https://3d.nih.gov/entries/3DPX-008708

Description: 2-methylbutan-2-ol is a tertiary alcohol that is propan-1-ol in which both of the hydrogens at position 1 have been replaced by methyl groups. It has a role as a protic solvent. It is a tertiary al...

---

3430. 3-Methyl-1-butene

Link: https://3d.nih.gov/entries/3DPX-008709

Description: 3-methylbut-1-ene is an alkene that is but-1-ene carrying a methyl substituent at position 3.

---

3431. Permethrin

Link: https://3d.nih.gov/entries/3DPX-008710

Description: Permethrin is a cyclopropanecarboxylate ester in which the esterifying alcohol is 3-phenoxybenzyl alcohol and the cyclopropane ring is substituted with a 2,2-dichlorovinyl group and with gem-dimeth...

---

3432. cis-Permethrin

Link: https://3d.nih.gov/entries/3DPX-008711

Description: A pyrethroid insecticide commonly used in the treatment of LICE INFESTATIONS and SCABIES.

---

3433. Capsaicin

Link: https://3d.nih.gov/entries/3DPX-008712

Description: Capsaicin is most often used as a topical analgesic and exists in many formulations of cream, liquid, and patch preparations of various strengths; however, it may also be found in some dietary supp...

---

3434. Tezacaftor

Link: https://3d.nih.gov/entries/3DPX-008715

Description: Tezacaftor is being investigated for the treatment of Cystic Fibrosis.

---

3435. 3-Pentanol

Link: https://3d.nih.gov/entries/3DPX-008718

Description: Pentan-3-ol is a secondary alcohol that is pentane substituted at position 3 by a hydroxy group. It has a role as a pheromone and a biomarker. It is a secondary alcohol and a pentanol. It derives f...

---

3436. 2-[[(2R,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]amino]guanidine

Link: https://3d.nih.gov/entries/3DPX-008719

Description: No description available

---

3437. Propylamine

Link: https://3d.nih.gov/entries/3DPX-008720

Description: Propylamine is a member of the class of alkylamines that is propane substituted by an amino group at C-1. It is a conjugate base of a propan-1-aminium.

---

3438. Isopropylamine

Link: https://3d.nih.gov/entries/3DPX-008721

Description: Isopropylamine is a member of the class of alkylamines that is propane carrying an amino group at position 2. It is a member of alkylamines and a primary aliphatic amine. It is a conjugate base of ...

---

3439. Sec-butylamine

Link: https://3d.nih.gov/entries/3DPX-008722

Description: Sec-butylamine is a primary aliphatic amine that is butane in which one hydrogen at position 2 is replaced by an amino group. A fumigant fungicide with a high potential for bioaccumulation, it is n...

---

3440. tert-Butylamine

Link: https://3d.nih.gov/entries/3DPX-008723

Description: Tert-butylamine is a primary aliphatic amine that is ethylamine substituted by two methyl groups at position 1. It is a conjugate base of a tert-butylammonium.

---

3441. Butylamine

Link: https://3d.nih.gov/entries/3DPX-008724

Description: N-BUTYLAMINE is a clear colorless liquid with an ammonia-like odor. Flash point 10°F. Less dense (6.2 lb / gal) than water. Vapors heavier than air. Produces toxic oxides of nitrogen during combust...

---

3442. 2-Butanol

Link: https://3d.nih.gov/entries/3DPX-008725

Description: Butan-2-ol is a secondary alcohol that is butane substituted by a hydroxy group at position 2. It derives from a hydride of a butane.

---

3443. 1-Hexanol

Link: https://3d.nih.gov/entries/3DPX-008726

Description: Hexan-1-ol is a primary alcohol that is hexane substituted by a hydroxy group at position 1. It has a role as a plant metabolite. It is a primary alcohol and a hexanol.

---

3444. 2-Hexanol

Link: https://3d.nih.gov/entries/3DPX-008727

Description: Hexan-2-ol is a hexanol in which the hydroxy group is at position 2. It has a role as a semiochemical, a plant metabolite and a human metabolite. It is a secondary alcohol and a hexanol.

---

3445. 3-Hexanol

Link: https://3d.nih.gov/entries/3DPX-008728

Description: Hexan-3-ol is a hexanol in which the hydroxy group is at position 3. It has a role as a plant metabolite. It is a secondary alcohol and a hexanol.

---

3446. Tabun

Link: https://3d.nih.gov/entries/3DPX-008730

Description: TABUN is a colorless to brown liquid with a faint fruity odor. Used as a chemical warfare agent.

---

3447. 2,4-Diacetylphloroglucinol

Link: https://3d.nih.gov/entries/3DPX-008731

Description: 2,4-diacetylphloroglucinol is a benzenetriol that is phloroglucinol in which two of the ring hydrogens are replaced by acetyl groups. It has a role as a bacterial metabolite and an antifungal agent...

---

3448. Mechlorethamine

Link: https://3d.nih.gov/entries/3DPX-008734

Description: Mechlorethamine is a nitrogen mustard and an organochlorine compound. It has a role as an alkylating agent.

---

3449. E 0710; IM-F; Indometacin farnesil

Link: https://3d.nih.gov/entries/3DPX-008735

Description: No description available

---

3450. CID 37165

Link: https://3d.nih.gov/entries/3DPX-008736

Description: Saxitoxin is a paralytic poison from Alaska butter clams (Saxidomus giganteus), toxic mussels (Mytilus californianus), the plankton Gonyaulax cantenella and Protogonyaulax tamarensis. Causal agent ...

---

3451. (11Z)-21,24,28-trihydroxy-7-methoxy-5-methyl-19,26-dioxo-3-oxa-16-azaheptacyclo[15.12.0.02,4.02,8.04,15.018,27.020,25]nonacosa-1(29),6,11,17,20,22,24,27-octaen-9,13-diyne-6-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-008739

Description: No description available

---

3452. Jordi

Link: https://3d.nih.gov/entries/3DPX-008740

Description: No description available

---

3453. sulfúric

Link: https://3d.nih.gov/entries/3DPX-008741

Description: No description available

---

3454. Phenol red

Link: https://3d.nih.gov/entries/3DPX-008744

Description: Phenol red is 3H-2,1-Benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxyphenyl groups. A pH indicator changing colour from yellow below pH 6.8 ...

---

3455. Aripiprazole

Link: https://3d.nih.gov/entries/3DPX-008745

Description: Aripiprazole is an N-arylpiperazine that is piperazine substituted by a 4-[(2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)oxy]butyl group at position 1 and by a 2,3-dichlorophenyl group at position 4. It i...

---

3456. Butylparaben

Link: https://3d.nih.gov/entries/3DPX-008746

Description: Butylparaben is an organic molecular entity.

---

3457. 1,5-Di(4-Amidinophenoxy)-3-Oxa-Pentane

Link: https://3d.nih.gov/entries/3DPX-008747

Description: No description available

---

3458. Benzophenone

Link: https://3d.nih.gov/entries/3DPX-008748

Description: Benzophenone is the simplest member of the class of benzophenones, being formaldehyde in which both hydrogens are replaced by phenyl groups. It has a role as a photosensitizing agent and a plant me...

---

3459. Dodecyl sulfate

Link: https://3d.nih.gov/entries/3DPX-008749

Description: Dodecyl hydrogen sulfate is an alkyl sulfate. It is a conjugate acid of a dodecyl sulfate.

---

3460. Hexadecane

Link: https://3d.nih.gov/entries/3DPX-008750

Description: Hexadecane is a straight-chain alkane with 16 carbon atoms. It is a component of essential oil isolated from long pepper. It has a role as a plant metabolite, a volatile oil component and a non-pol...

---

3461. Vilaprisan

Link: https://3d.nih.gov/entries/3DPX-008751

Description: Vilaprisan has been used in trials studying the treatment of Leiomyoma and Clinical Trial, Phase I.

---

3462. D-Erythrose

Link: https://3d.nih.gov/entries/3DPX-008766

Description: D-Erythrose

---

3463. L-Erythrose

Link: https://3d.nih.gov/entries/3DPX-008767

Description: L-Erythrose

---

3464. D-alanine

Link: https://3d.nih.gov/entries/3DPX-008768

Description: D-alanine

---

3465. Methylphosphonic difluoride

Link: https://3d.nih.gov/entries/3DPX-008790

Description: This compound is a precursor to the chemical weapons sarin and soman and is expected to react similarly to both of those compounds. See the chemical datasheets for sarin and soman for more informat...

---

3466. Isopropyl aminoethylmethyl phosphonite

Link: https://3d.nih.gov/entries/3DPX-008791

Description: This material is a chemical weapon or chemical weapon precursor.

---

3467. Chlorosarin

Link: https://3d.nih.gov/entries/3DPX-008792

Description: Chlorosarin is a chemical weapon which is related to sarin. Structurally, chlorosarin differs from sarin only in that the fluorine atom in sarin is replaced by a chlorine atom in chlorosarin. This ...

---

3468. Chlorosoman

Link: https://3d.nih.gov/entries/3DPX-008793

Description: Chlorosoman is a chemical weapon which is related to soman. Structurally, chlorosoman differs from soman only in that the fluorine atom in soman is replaced by a chlorine atom in chlorosoman. This ...

---

3469. Isophorone oxide

Link: https://3d.nih.gov/entries/3DPX-008794

Description: No description available

---

3470. test

Link: https://3d.nih.gov/entries/3DPX-008802

Description: No description available

---

3471. Valproic acid 2D

Link: https://3d.nih.gov/entries/3DPX-008820

Description: No description available

---

3472. Valproic acid 3D

Link: https://3d.nih.gov/entries/3DPX-008821

Description: No description available

---

3473. UiO-66 with 5% missing linkers

Link: https://3d.nih.gov/entries/3DPX-008825

Description: No description available

---

3474. UiO-66 with 10% missing linkers

Link: https://3d.nih.gov/entries/3DPX-008826

Description: No description available

---

3475. UiO-66 with 15% missing linkers

Link: https://3d.nih.gov/entries/3DPX-008827

Description: No description available

---

3476. UiO-66 with 20% missing linkers

Link: https://3d.nih.gov/entries/3DPX-008828

Description: No description available

---

3477. UiO-66 with 25% missing linkers

Link: https://3d.nih.gov/entries/3DPX-008829

Description: No description available

---

3478. Crystal Structure of a De Novo Designed Beta Sheet Protein, Cystatin Fold, Northeast Structural Genomics Consortium (NESG) Target OR486

Link: https://3d.nih.gov/entries/3DPX-008834

Description: No description available

---

3479. Stishovite Unit Cell

Link: https://3d.nih.gov/entries/3DPX-008843

Description: Unit cell of a stishovite. The stishovite_parts2 files have all the parts ready for printing. The model can be scaled by chancing values to the variable dim.

---

3480. Austenite

Link: https://3d.nih.gov/entries/3DPX-008845

Description: Unit cell, FCC, Ferrite atoms with one interstitial carbon.

---

3481. Triphosphopyridine nucleotide

Link: https://3d.nih.gov/entries/3DPX-008846

Description: NADP zwitterion is a NADP. It has a role as a fundamental metabolite. It is a conjugate base of a NADP(+).

---

3482. NiCdO

Link: https://3d.nih.gov/entries/3DPX-008847

Description: NiCdO with 1-1 Ni-Cd ratio, two unit cells.

---

3483. Diamond-Xuerong

Link: https://3d.nih.gov/entries/3DPX-008848

Description: Diamond

---

3484. Coffee

Link: https://3d.nih.gov/entries/3DPX-008849

Description: Small coffee molecule as part of a coursework

---

3485. CUBIC BORON NITRIDE [CBN]

Link: https://3d.nih.gov/entries/3DPX-008853

Description: Cubic Boron Nitride is a synthetic material with hardness level that is only inferior to that of diamond. It does, however, consist of superior thermal and chemical properties to that of diamond. I...

---

3486. Ice: Crystal Water H2O

Link: https://3d.nih.gov/entries/3DPX-008854

Description: No description available

---

3487. Formaldehyde CH2O

Link: https://3d.nih.gov/entries/3DPX-008855

Description: Formaldehyde is a colorless, flammable gas. Resins of formaldehyde can be found in building materials and household products. It is a byproduct of combustion.

---

3488. Butane

Link: https://3d.nih.gov/entries/3DPX-008857

Description: Butane is a straight chain alkane composed of 4 carbon atoms. It has a role as a food propellant and a refrigerant. It is a gas molecular entity and an alkane.

---

3489. C2H4

Link: https://3d.nih.gov/entries/3DPX-008858

Description: No description available

---

3490. Polylactic Acid (PLA)

Link: https://3d.nih.gov/entries/3DPX-008859

Description: No description available

---

3491. Capsaicin

Link: https://3d.nih.gov/entries/3DPX-008860

Description: Capsaicin molecule, built from printed atom-balls using sharpened filament as struts.

---

3492. HKUST-1 3X3

Link: https://3d.nih.gov/entries/3DPX-008861

Description: No description available

---

3493. NU-1000

Link: https://3d.nih.gov/entries/3DPX-008862

Description: No description available

---

3494. 1-Pentene

Link: https://3d.nih.gov/entries/3DPX-008865

Description: 1-PENTENE is a colorless liquid with an odor of gasoline. Flash point -20°F (Aldrich). Insoluble in water and less dense than water. Hence floats on water. Flammable vapor is produced. Boiling poin...

---

3495. cis-2-PENTENE

Link: https://3d.nih.gov/entries/3DPX-008866

Description: 2-PENTENE, (Z)- is a colorless liquid with a hydrocarbon odor. Usually found as a technical grade consisting of a mixture of isomers. Insoluble in water. Used as a solvent in organic synthesis and ...

---

3496. trans-2-Pentene

Link: https://3d.nih.gov/entries/3DPX-008867

Description: 2-PENTENE, (E)- is a colorless liquid with a hydrocarbon odor. Usually in technical grade as a mixture of isomers. Used as a solvent, in organic synthesis, and as a polymerization inhibitor.

---

3497. Ethyl 2-[3-chloro-4-(2,4-dimethoxyanilino)-2,5-dioxopyrrol-1-yl]benzoate

Link: https://3d.nih.gov/entries/3DPX-008868

Description: No description available

---

3498. Alendronic acid

Link: https://3d.nih.gov/entries/3DPX-008869

Description: Alendronic acid is a 1,1-bis(phosphonic acid) that is methanebis(phosphonic acid) in which the two methylene hydrogens are replaced by hydroxy and 3-aminopropyl groups. It has a role as an EC 2.5.1...

---

3499. Vilaprisan-no hydrogens

Link: https://3d.nih.gov/entries/3DPX-008874

Description: No description available

---

3500. 2,4,6-Tris(4-methylphenyl)pyrylium

Link: https://3d.nih.gov/entries/3DPX-008898

Description: No description available

---

3501. Thimerosal

Link: https://3d.nih.gov/entries/3DPX-008899

Description: Based on the 2D PubChem CID 16684434. The 2D struture was downloaded from PubChem, the sodium ion removed, and then the structure was minimized to convert it to a reasonable 3D model. &...

---

3502. Graphene

Link: https://3d.nih.gov/entries/3DPX-008900

Description: No description available

---

3503. Graphene

Link: https://3d.nih.gov/entries/3DPX-008901

Description: No description available

---

3504. Sulforaphane

Link: https://3d.nih.gov/entries/3DPX-008902

Description: Sulforaphane is an isothiocyanate having a 4-(methylsulfinyl)butyl group attached to the nitrogen. It has a role as an antineoplastic agent, a plant metabolite, an antioxidant and an EC 3.5.1.98 (h...

---

3505. Glyphosate

Link: https://3d.nih.gov/entries/3DPX-008904

Description: Glyphosate is a phosphonic acid resulting from the formal oxidative coupling of the methyl group of methylphosphonic acid with the amino group of glycine. It is one of the most commonly used herbic...

---

3506. Coffee

Link: https://3d.nih.gov/entries/3DPX-008922

Description: Small coffee molecule as part of a coursework

---

3507. NiMFU4l ethyl with ethylene insertion truncation 2

Link: https://3d.nih.gov/entries/3DPX-008934

Description: This is a computed model of chain growth in the dimerization of ethylene to 1-butene by Ni-MFU-4l/MAO. Although unpublished, this DFT model is based on our prior work on olefin oligomerization in m...

---

3508. Austenite FCC

Link: https://3d.nih.gov/entries/3DPX-008936

Description: No description available

---

3509. Amoxicillin

Link: https://3d.nih.gov/entries/3DPX-008938

Description: Amoxicillin is a penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-(4-hydroxyphenyl)acetamido group. It has a role as an antibacterial drug. It is a penicillin and ...

---

3510. Clavulanic acid

Link: https://3d.nih.gov/entries/3DPX-008939

Description: Clavulanic acid is antibiotic isolated from Streptomyces clavuligerus. It acts as a suicide inhibitor of bacterial beta-lactamase enzymes. It has a role as an antibacterial drug, a bacterial metabo...

---

3511. CID 101695690

Link: https://3d.nih.gov/entries/3DPX-008940

Description: No description available

---

3512. 1-(5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione

Link: https://3d.nih.gov/entries/3DPX-008941

Description: No description available

---

3513. CID 5464066

Link: https://3d.nih.gov/entries/3DPX-008942

Description: No description available

---

3514. Obafluorin

Link: https://3d.nih.gov/entries/3DPX-008943

Description: No description available

---

3515. C12ABA Diamond structure

Link: https://3d.nih.gov/entries/3DPX-008950

Description: No description available

---

3516. Betanin

Link: https://3d.nih.gov/entries/3DPX-008952

Description: This is the structure of betanin, the most abundant magenta pigment in red beetroots. The structure was optimized at the B3LYP/6-31+G(d,p) level.

---

3517. Methimazole

Link: https://3d.nih.gov/entries/3DPX-008953

Description: Methimazole is a member of the class of imidazoles that it imidazole-2-thione in which a methyl group replaces the hydrogen which is attached to a nitrogen. It has a role as an antithyroid drug.

---

3518. Silicon carbide

Link: https://3d.nih.gov/entries/3DPX-008960

Description: Silicon carbide is an organosilicon compound.

---

3519. 2,4,6-Tris(4-methoxyphenyl)pyrylium

Link: https://3d.nih.gov/entries/3DPX-008961

Description: No description available

---

3520. SJS 146x147 Model 10

Link: https://3d.nih.gov/entries/3DPX-008966

Description: No description available

---

3521. Merbromin

Link: https://3d.nih.gov/entries/3DPX-008969

Description: Based on the PubChem CID 441373. The 2D struture was downloaded from PubChem, the sodium ions removed, and then the structure was minimized to convert it to a reasonable 3D model. A te...

---

3522. Clarithromycin

Link: https://3d.nih.gov/entries/3DPX-008978

Description: No description available

---

3523. Vancomycin

Link: https://3d.nih.gov/entries/3DPX-008979

Description: No description available

---

3524. Vancomycin Binding Partner

Link: https://3d.nih.gov/entries/3DPX-008980

Description: No description available

---

3525. polystyrene2

Link: https://3d.nih.gov/entries/3DPX-008982

Description: No description available

---

3526. o,o'-DDT

Link: https://3d.nih.gov/entries/3DPX-008991

Description: No description available

---

3527. Quinacrine

Link: https://3d.nih.gov/entries/3DPX-008992

Description: No description available

---

3528. SJS 146/147 M-3

Link: https://3d.nih.gov/entries/3DPX-008995

Description: No description available

---

3529. SJS 146/147 M-6

Link: https://3d.nih.gov/entries/3DPX-008996

Description: No description available

---

3530. SJS 146/147 M-17

Link: https://3d.nih.gov/entries/3DPX-008997

Description: No description available

---

3531. Cholecalciferol

Link: https://3d.nih.gov/entries/3DPX-009024

Description: No description available

---

3532. B2O3 0D

Link: https://3d.nih.gov/entries/3DPX-009027

Description: No description available

---

3533. 0D B2O3

Link: https://3d.nih.gov/entries/3DPX-009028

Description: No description available

---

3534. Benzoic acid-d

Link: https://3d.nih.gov/entries/3DPX-009043

Description: No description available

---

3535. Tritio butanoate

Link: https://3d.nih.gov/entries/3DPX-009044

Description: No description available

---

3536. SJS 146 x 149 M-7

Link: https://3d.nih.gov/entries/3DPX-009057

Description: No description available

---

3537. SJS 148 x 149 M-7

Link: https://3d.nih.gov/entries/3DPX-009059

Description: No description available

---

3538. CID 5354231

Link: https://3d.nih.gov/entries/3DPX-009068

Description: No description available

---

3539. U3

Link: https://3d.nih.gov/entries/3DPX-009076

Description: Theoretical Model

---

3540. ester

Link: https://3d.nih.gov/entries/3DPX-009077

Description: No description available

---

3541. Sasquinavir test

Link: https://3d.nih.gov/entries/3DPX-009080

Description: No description available

---

3542. Omeprazole

Link: https://3d.nih.gov/entries/3DPX-009083

Description: A highly effective inhibitor of gastric acid secretion used in the therapy of stomach ulcers and Zollinger-Ellison syndrome. Omeprazole belongs to a class of antisecretory compounds, the substitute...

---

3543. Stephensiolide F

Link: https://3d.nih.gov/entries/3DPX-009097

Description: No description available

---

3544. Sasquinavir test 2

Link: https://3d.nih.gov/entries/3DPX-009112

Description: No description available

---

3545. Isoproterenol

Link: https://3d.nih.gov/entries/3DPX-009119

Description: Isoprenaline is a secondary amino compound that is noradrenaline in which one of the hydrogens attached to the nitrogen is replaced by an isopropyl group. A sympathomimetic acting almost exclusivel...

---

3546. Sasquinavir test 3

Link: https://3d.nih.gov/entries/3DPX-009121

Description: No description available

---

3547. (5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-3-(1-oxothiolan-3-yl)sulfanyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Link: https://3d.nih.gov/entries/3DPX-009122

Description: Sulopenem is a parenteral thiopenem with broad-spectrum antibacterial activity against most gram-positive and gram-negative bacteria. Sulopenem is not active against Pseudomonas aeruginosa. In addi...

---

3548. Methanediol

Link: https://3d.nih.gov/entries/3DPX-009131

Description: No description available

---

3549. Ethinylestradiol

Link: https://3d.nih.gov/entries/3DPX-009134

Description: No description available

---

3550. Ethinylestradiol

Link: https://3d.nih.gov/entries/3DPX-009135

Description: No description available

---

3551. prova maig

Link: https://3d.nih.gov/entries/3DPX-009138

Description: No description available

---

3552. MLE PROVA

Link: https://3d.nih.gov/entries/3DPX-009139

Description: No description available

---

3553. daptomycin

Link: https://3d.nih.gov/entries/3DPX-009145

Description: No description available

---

3554. Octathiocane

Link: https://3d.nih.gov/entries/3DPX-009151

Description: Cyclooctasulfur is a homomonocyclic compound composed of eight sulfur atoms. It has been isolated from Ganoderma lucidum, a mushroom commonly used in Chinese medicine. It has a role as a fungal met...

---

3555. Phenformin

Link: https://3d.nih.gov/entries/3DPX-009152

Description: No description available

---

3556. saquinavir_JD_CB_SR

Link: https://3d.nih.gov/entries/3DPX-009155

Description: Jay Dai, Cassandra Blessing, Silvia Ramirez

---

3557. Medroxyprogesterone acetate

Link: https://3d.nih.gov/entries/3DPX-009156

Description: No description available

---

3558. 3-Hydroxybenzoic acid

Link: https://3d.nih.gov/entries/3DPX-009159

Description: 3-hydroxybenzoic acid is a monohydroxybenzoic acid that is benzoic acid substituted by a hydroxy group at position 3. It has been isolated from Taxus baccata. It is used as an intermediate in the s...

---

3559. 4-Hydroxybenzoic Acid-d4

Link: https://3d.nih.gov/entries/3DPX-009160

Description: No description available

---

3560. 3-HYDROXYBUTANOYL-COENZYME A

Link: https://3d.nih.gov/entries/3DPX-009161

Description: No description available

---

3561. 3-HYDROXYBUTANOYL-COENZYME A

Link: https://3d.nih.gov/entries/3DPX-009163

Description: No description available

---

3562. 4-hydroxybenzoyl CoA

Link: https://3d.nih.gov/entries/3DPX-009164

Description: No description available

---

3563. Coenzyme A

Link: https://3d.nih.gov/entries/3DPX-009165

Description: No description available

---

3564. JC, PI, CO, SD

Link: https://3d.nih.gov/entries/3DPX-009169

Description: Jessica Cardenas, Polin Ivanova, Cece Ozar, Seth Dennison

---

3565. Phenformin 3d

Link: https://3d.nih.gov/entries/3DPX-009170

Description: No description available

---

3566. test

Link: https://3d.nih.gov/entries/3DPX-009174

Description: No description available

---

3567. Sasquinavir_JL_WS_JS

Link: https://3d.nih.gov/entries/3DPX-009175

Description: Jacob Shake Wen Shi Jerry Li

---

3568. Ethyl formate

Link: https://3d.nih.gov/entries/3DPX-009176

Description: Ethyl formate is a formate ester resulting from the formal condensation of formic acid with ethanol. It has a role as a fumigant and a plant metabolite. It is a formate ester and an ethyl ester.

---

3569. Isosorbide

Link: https://3d.nih.gov/entries/3DPX-009178

Description: Isosorbide is an organic molecular entity.

---

3570. Saquinavir_LF_JS_JH

Link: https://3d.nih.gov/entries/3DPX-009179

Description: Group: Laurel Faher, Jung In Suh, Jesus Hernandez

---

3571. JR_NT_IC

Link: https://3d.nih.gov/entries/3DPX-009181

Description: No description available

---

3572. ligand_RB3 from PDB

Link: https://3d.nih.gov/entries/3DPX-009182

Description: No description available

---

3573. Isorhamnetin

Link: https://3d.nih.gov/entries/3DPX-009183

Description: Isorhamnetin is a monomethoxyflavone that is quercetin in which the hydroxy group at position 3' is replaced by a methoxy group. It has a role as an EC 1.14.18.1 (tyrosinase) inhibitor, an anticoag...

---

3574. Morhpine

Link: https://3d.nih.gov/entries/3DPX-009186

Description: No description available

---

3575. deltendorphin

Link: https://3d.nih.gov/entries/3DPX-009187

Description: No description available

---

3576. Deltaendorphin

Link: https://3d.nih.gov/entries/3DPX-009188

Description: No description available

---

3577. Saquinavin JG EA SR

Link: https://3d.nih.gov/entries/3DPX-009194

Description: Julian Grim, Emmanuel Arambula, Stephanie Rillon

---

3578. KC, RD, GN-saquinavir

Link: https://3d.nih.gov/entries/3DPX-009195

Description: Karen Carrillo, Ricardo De Luna, Gilmer Navarro

---

3579. Procyanidin A1

Link: https://3d.nih.gov/entries/3DPX-009197

Description: No description available

---

3580. Saquinavir_TY_YJ_CN_SZC

Link: https://3d.nih.gov/entries/3DPX-009198

Description: Tianyue Yu,Yu Jiang, Charlotte Ngai, Zichao Shao

---

3581. Saquinavir_RP_SH_AL

Link: https://3d.nih.gov/entries/3DPX-009206

Description: Ruth Park, Sarah Hawkins, Andy Le

---

3582. 3D Printing Project - Saquinavir (AP, GC, SA)

Link: https://3d.nih.gov/entries/3DPX-009208

Description: Athen Park, Gina Cocos, Shaden Aguirre

---

3583. Sasquinavir (KDG, RLT, LMN)

Link: https://3d.nih.gov/entries/3DPX-009209

Description: Katya D Garcia, Rhea Tamondong, Luis Martin Navarette

---

3584. Saquinavir (KDG, RLT, LMN)

Link: https://3d.nih.gov/entries/3DPX-009211

Description: Katya D Garcia, Rhea Tamondong, Luis Martin Navarrete

---

3585. Sasquinavir VN

Link: https://3d.nih.gov/entries/3DPX-009213

Description: Sasquinavir Chem3d model for Chem 151 3d printing project. Vivian Nguyen, Brandon Nguyen, Kohei Takagi.

---

3586. saquinavir P.T., T.W., H.N.

Link: https://3d.nih.gov/entries/3DPX-009215

Description: Made by: Philip Thach, Tong Wu, Huyen Ng. P.T, T.W., H.N.

---

3587. Pethidine (RU.Z) (YUQ.W)

Link: https://3d.nih.gov/entries/3DPX-009219

Description: Pethidine (Ruilin Zhao A92021743, Yuqing Wang, A92088283)

---

3588. 4-amino acid peptide (Met-Ala-Arg-Cys)

Link: https://3d.nih.gov/entries/3DPX-009221

Description: Molecule created as homage to the MARC-U-STAR program at University of Puerto Rico, Mayaguez campus (NIH Grant #: 2T34GM0088419). It was modeled using Avogadro as the modeling software. Could serve...

---

3589. Sasquinavir_KK_MN_MC

Link: https://3d.nih.gov/entries/3DPX-009222

Description: Kyeongbin Kim, Myron Ng, Michel Chen

---

3590. NC,VH,JY,JM-Sasquinavir5

Link: https://3d.nih.gov/entries/3DPX-009227

Description: Nichole Canacari, Vince Hua, Jessica Yim, Jessica Mejia

---

3591. Saquinavir_AH_TH_CT

Link: https://3d.nih.gov/entries/3DPX-009231

Description: Ana Huynh, Tran Huynh, Cindy Thai

---

3592. Take 2 JR_NT_IC

Link: https://3d.nih.gov/entries/3DPX-009232

Description: No description available

---

3593. EF, YE, JW

Link: https://3d.nih.gov/entries/3DPX-009234

Description: Elise Funseth, Yahs Esfahani, Justin Washabaugh

---

3594. 4-Hydroxycinnamic acid

Link: https://3d.nih.gov/entries/3DPX-009239

Description: 4-coumaric acid is a coumaric acid in which the hydroxy substituent is located at C-4 of the phenyl ring. It has a role as a plant metabolite. It is a conjugate acid of a 4-coumarate.

---

3595. Phosphoramidothioic acid, [(butylcyanoamino)iminomethyl]-, O-ethyl S-propyl ester

Link: https://3d.nih.gov/entries/3DPX-009240

Description: No description available

---

3596. V

Link: https://3d.nih.gov/entries/3DPX-009242

Description: No description available

---

3597. Citrate

Link: https://3d.nih.gov/entries/3DPX-009244

Description: Citrate(3-) is a tricarboxylic acid trianion, obtained by deprotonation of the three carboxy groups of citric acid. It has a role as a fundamental metabolite. It is a citrate anion and a tricarboxy...

---

3598. alpha-Tocopherol acetate

Link: https://3d.nih.gov/entries/3DPX-009245

Description: Alpha-Tocopherol acetate is a tocol.

---

3599. A

Link: https://3d.nih.gov/entries/3DPX-009246

Description: No description available

---

3600. prova 25

Link: https://3d.nih.gov/entries/3DPX-009248

Description: No description available

---

3601. Reversine

Link: https://3d.nih.gov/entries/3DPX-009267

Description: No description available

---

3602. Nanosheet

Link: https://3d.nih.gov/entries/3DPX-009269

Description: No description available

---

3603. Seratonin flat

Link: https://3d.nih.gov/entries/3DPX-009274

Description: No description available

---

3604. saquinavir

Link: https://3d.nih.gov/entries/3DPX-009279

Description: No description available

---

3605. YW RZ

Link: https://3d.nih.gov/entries/3DPX-009280

Description: No description available

---

3606. Betulinic acid

Link: https://3d.nih.gov/entries/3DPX-009284

Description: Betulinic acid is a pentacyclic triterpenoid that is lupane having a double bond at position 20(29) as well as 3beta-hydroxy and 28-carboxy substituents. It is found in the bark and other plant par...

---

3607. Bobbitt's Salt

Link: https://3d.nih.gov/entries/3DPX-009296

Description: .mol Structure of the reagent known as Bobbitt's Salt

---

3608. 2,5-Furandicarboxylic acid

Link: https://3d.nih.gov/entries/3DPX-009299

Description: Furan-2,5-dicarboxylic acid is a member of the class of furans carrying two carboxy substituents at positions 2 and 5. It has a role as a human urinary metabolite. It is a member of furans and a di...

---

3609. MB

Link: https://3d.nih.gov/entries/3DPX-009314

Description: No description available

---

3610. Epinephrine

Link: https://3d.nih.gov/entries/3DPX-000932

Description: (R)-adrenaline is the R-enantiomer of adrenaline. It is a hormone secreted by the adrenal glands resulting in the 'fight-or-flight' response. It has a role as a hormone, an adrenergic agonist, a va...

---

3611. Chondroitin octa

Link: https://3d.nih.gov/entries/3DPX-009332

Description: No description available

---

3612. Ergotamine

Link: https://3d.nih.gov/entries/3DPX-009337

Description: No description available

---

3613. Ergotamine

Link: https://3d.nih.gov/entries/3DPX-009338

Description: No description available

---

3614. Noradrenaline

Link: https://3d.nih.gov/entries/3DPX-009339

Description: No description available

---

3615. Methyl acrylate

Link: https://3d.nih.gov/entries/3DPX-009340

Description: Methyl acrylate is an enoate ester.

---

3616. Adamantane

Link: https://3d.nih.gov/entries/3DPX-009341

Description: Adamantane is a member of adamantanes and a polycyclic alkane.

---

3617. Dicumyl peroxide

Link: https://3d.nih.gov/entries/3DPX-009342

Description: PHYSICAL DESCRIPTION: White powder with a characteristic odor. (NTP, 1992)

---

3618. Benzoyl Peroxide

Link: https://3d.nih.gov/entries/3DPX-009343

Description: Benzoyl peroxide is a carbonyl compound.

---

3619. benzè

Link: https://3d.nih.gov/entries/3DPX-009345

Description: No description available

---

3620. ciclohexà

Link: https://3d.nih.gov/entries/3DPX-009346

Description: No description available

---

3621. FITC

Link: https://3d.nih.gov/entries/3DPX-009350

Description: No description available

---

3622. Seliciclib

Link: https://3d.nih.gov/entries/3DPX-009354

Description: Seliciclib is 2,6-Diaminopurine carrying benzylamino, (2R)-1-hydroxybutan-2-yl and isopropyl substituents at C-6, C-2-N and N-9 respectively. It is an experimental drug candidate in the family of p...

---

3623. Test

Link: https://3d.nih.gov/entries/3DPX-009355

Description: No description available

---

3624. PI4P

Link: https://3d.nih.gov/entries/3DPX-009357

Description: No description available

---

3625. Single helical amylose (starch) (reinforced)

Link: https://3d.nih.gov/entries/3DPX-009365

Description: 18-mer starch model, with selected reinforcing links chosen from possible hydrogen bonds. Works well for teaching purposes if printed 2x size.

---

3626. bipy-HBO

Link: https://3d.nih.gov/entries/3DPX-009389

Description: No description available

---

3627. Levodopa

Link: https://3d.nih.gov/entries/3DPX-000939

Description: L-dopa is an optically active form of dopa having L-configuration. Used to treat the stiffness, tremors, spasms, and poor muscle control of Parkinson's disease It has a role as a prodrug, a hapten,...

---

3628. Nitrobenzene

Link: https://3d.nih.gov/entries/3DPX-009420

Description: Nitrobenzene is a nitroarene consisting of benzene carrying a single nitro substituent. An industrial chemical used widely in the production of aniline. It is a member of nitrobenzenes and a nitroa...

---

3629. Chlorobenzene

Link: https://3d.nih.gov/entries/3DPX-009421

Description: Chlorobenzene is the simplest member of the class of monochlorobenzenes, that is benzene in which a single hydrogen has been substituted by a chlorine. It has a role as a solvent.

---

3630. Dolabradiene

Link: https://3d.nih.gov/entries/3DPX-009427

Description: No description available

---

3631. Art trial 1

Link: https://3d.nih.gov/entries/3DPX-009429

Description: No description available

---

3632. Art trial 2

Link: https://3d.nih.gov/entries/3DPX-009430

Description: No description available

---

3633. ginkgolide-B

Link: https://3d.nih.gov/entries/3DPX-009432

Description: No description available

---

3634. Longifolene

Link: https://3d.nih.gov/entries/3DPX-009436

Description: Longifolene is a sesquiterpene.

---

3635. glutamine-phosphate

Link: https://3d.nih.gov/entries/3DPX-009437

Description: No description available

---

3636. CID 5458876

Link: https://3d.nih.gov/entries/3DPX-009445

Description: Artemisinin has been used in trials studying the treatment of Schizophrenia, Malaria, Falciparum, and Plasmodium Falciparum.

---

3637. CID 5281051

Link: https://3d.nih.gov/entries/3DPX-009446

Description: Hypericin is under investigation for the treatment of Cutaneous T-cell Lymphoma.

---

3638. Myrigalone G

Link: https://3d.nih.gov/entries/3DPX-009447

Description: Myrigalone G is a member of chalcones.

---

3639. Hyperforin

Link: https://3d.nih.gov/entries/3DPX-009448

Description: Hyperforin is a cyclic terpene ketone that is a prenylated carbobicyclic acylphloroglucinol derivative produced by St. John's Wort, Hypericum perforatum. It has a role as a GABA reuptake inhibitor,...

---

3640. Jasmonic acid

Link: https://3d.nih.gov/entries/3DPX-009449

Description: Jasmonic acid is an oxo monocarboxylic acid that is (3-oxocyclopentyl)acetic acid substituted by a (2Z)-pent-2-en-1-yl group at position 2 of the cyclopentane ring. It has a role as a plant metabol...

---

3641. Gallopamil

Link: https://3d.nih.gov/entries/3DPX-000946

Description: Gallopamil is a member of benzenes and an organic amino compound.

---

3642. fullerene

Link: https://3d.nih.gov/entries/3DPX-009461

Description: No description available

---

3643. carbon nanotube

Link: https://3d.nih.gov/entries/3DPX-009462

Description: No description available

---

3644. Acetaminophen

Link: https://3d.nih.gov/entries/3DPX-000947

Description: Paracetamol is a member of the class of phenols that is 4-aminophenol in which one of the hydrogens attached to the amino group has been replaced by an acetyl group. It has a role as a cyclooxygena...

---

3645. PTFE Structure

Link: https://3d.nih.gov/entries/3DPX-009478

Description: One monomer of a polytetrafluoroethylene polymer

---

3646. anti-diF-TES-ADT

Link: https://3d.nih.gov/entries/3DPX-009481

Description: No description available

---

3647. Methylene Blue

Link: https://3d.nih.gov/entries/3DPX-009483

Description: No description available

---

3648. sub product_2

Link: https://3d.nih.gov/entries/3DPX-009484

Description: No description available

---

3649. sub product_3

Link: https://3d.nih.gov/entries/3DPX-009485

Description: No description available

---

3650. Methylene Blue_2

Link: https://3d.nih.gov/entries/3DPX-009486

Description: No description available

---

3651. Betaine

Link: https://3d.nih.gov/entries/3DPX-009492

Description: No description available

---

3652. NU-1000 2 pores

Link: https://3d.nih.gov/entries/3DPX-009493

Description: No description available

---

3653. LSD-25 (Lysergide)

Link: https://3d.nih.gov/entries/3DPX-009500

Description: No description available

---

3654. H4TBAPy linker

Link: https://3d.nih.gov/entries/3DPX-009501

Description: No description available

---

3655. NU-1000 SBU

Link: https://3d.nih.gov/entries/3DPX-009502

Description: No description available

---

3656. Dronabinol

Link: https://3d.nih.gov/entries/3DPX-009512

Description: Dronabinol is a psychoactive compound extracted from the resin of Cannabis sativa (marihuana, hashish). The isomer delta-9-tetrahydrocannabinol (THC) is considered the most active form, producing c...

---

3657. 2H-1-Benzopyran-3-carboxaldehyde, 7-methoxy-2-oxo-

Link: https://3d.nih.gov/entries/3DPX-021979

Description: No description available

---

3658. N-(6-methyl-3,4-dihydro-2H-chromen-4-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide

Link: https://3d.nih.gov/entries/3DPX-021978

Description: No description available

---

3659. Tetraphenylethylene

Link: https://3d.nih.gov/entries/3DPX-022000

Description: No description available

---

3660. Dipeptide Glu-Lys

Link: https://3d.nih.gov/entries/3DPX-022001

Description: Protected Dipeptide

---

3661. Ethyl Chloride

Link: https://3d.nih.gov/entries/3DPX-022737

Description: Chloroethane (Ethyl Chloride) can cause cancer according to The National Toxicology Program.

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3662. β-D-ribofuranosa

Link: https://3d.nih.gov/entries/3DPX-022736

Description: Monosacàrid ciclat

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3663. Cyanogen Chloride

Link: https://3d.nih.gov/entries/3DPX-022752

Description: No description available

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3664. Nitrogen trichloride

Link: https://3d.nih.gov/entries/3DPX-022751

Description: Nitrogen trichloride is a nitrogen halide.

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3665. Selenoneine

Link: https://3d.nih.gov/entries/3DPX-022754

Description: Selenoneine

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3666. Cyanuric acid

Link: https://3d.nih.gov/entries/3DPX-022750

Description: Cyanuric acid is the enol tautomer of isocyanuric acid. It has a role as a xenobiotic. It is a member of 1,3,5-triazines and a heteroaryl hydroxy compound. It is a tautomer of an isocyanuric acid.

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3667. Symclosene

Link: https://3d.nih.gov/entries/3DPX-022749

Description: 1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione is a member of 1,3,5-triazinanes and an organochlorine compound.

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3668. CID 164185575

Link: https://3d.nih.gov/entries/3DPX-022764

Description: No description available

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3669. Propargyloxy-N-amino anthranilic acid

Link: https://3d.nih.gov/entries/3DPX-022762

Description: MRI contrast agent for activity-based aldehyde mapping

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