Molecule ID: 126456504

IUPAC Name: 7-[(1R,2S)-2-[(E,3S)-3,8-dihydroxyoct-1-enyl]-5-oxocyclopent-3-en-1-yl]heptanoic acid

Description: The molecule is a prostaglandin A derivative that is prostaglandin A1 in which one of the methyl hydrogens at position 20 has been replaced by a hydroxy group. It is a primary alcohol, a secondary allylic alcohol, a prostaglandins A and a diol. It derives from a prostaglandin A1. It is a conjugate acid of a 20-hydroxyprostaglandin A1(1-).

SMILES: O=C(O)CCCCCC[C@H]1C(=O)C=C[C@@H]1/C=C/[C@@H](O)CCCCCO

SELFIES: [O][=C][Branch1][C][O][C][C][C][C][C][C][C@H1][C][=Branch1][C][=O][C][=C][C@@H1][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C][C][C][C][C][O]

InChI: InChI=1S/C20H32O5/c21-15-7-3-4-8-17(22)13-11-16-12-14-19(23)18(16)9-5-1-2-6-10-20(24)25/h11-14,16-18,21-22H,1-10,15H2,(H,24,25)/b13-11+/t16-,17-,18+/m0/s1

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 2.8