Molecule ID: 71581025

IUPAC Name: 5-[(1R,2R,3R,5S)-2-[(E,3S)-3,7-dihydroxyoct-1-enyl]-3,5-dihydroxycyclopentyl]-4-oxopentanoic acid

Description: The molecule is a prostanoid that is 2,3-dinor-6-oxo-prostaglandin F1alpha in which a hydrogen at position 19 is replaced by a hydroxy group. It has a role as a metabolite. It is a prostanoid, a 4-oxo monocarboxylic acid and a secondary alcohol. It derives from a 2,3-dinor-6-oxoprostaglandin F1alpha.

SMILES: CC(O)CCC[C@H](O)/C=C/[C@@H]1[C@@H](CC(=O)CCC(=O)O)[C@@H](O)C[C@H]1O

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

InChI: InChI=1S/C18H30O7/c1-11(19)3-2-4-12(20)5-7-14-15(17(23)10-16(14)22)9-13(21)6-8-18(24)25/h5,7,11-12,14-17,19-20,22-23H,2-4,6,8-10H2,1H3,(H,24,25)/b7-5+/t11?,12-,14+,15+,16+,17-/m0/s1

Molecular Properties:
- Polar Surface Area: 135.0 Ų
- LogP: -0.8