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Ligand ID | PUC |
InChI | InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-19-18(16-14-20(19)25-15-16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16-,17+,18+,19-,20-/m1/s1 |
InChIKey | LQANGKSBLPMBTJ-BRSNVKEHSA-N |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.7.0 | CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O | OpenEye OEToolkits 1.7.0 | CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@@H]1C/C=C\CCCC(=O)O)CO2)O | CACTVS 3.352 | CCCCC[CH](O)C=C[CH]1[CH]2C[CH](CO2)[CH]1CC=CCCCC(O)=O | CACTVS 3.352 | CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](CO2)[C@@H]1C\C=C/CCCC(O)=O |
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Formula | C21 H34 O4 |
Name | (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid; 15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid |
ChEMBL | CHEMBL521784 |
DrugBank | |
ZINC | ZINC000008716754
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PDB chain | 7tx8 Chain C Residue 402
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[View ligand structure]
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