Molecule ID: 71581081

IUPAC Name: 3-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxooct-1-enyl]cyclopentyl]propanoic acid

Description: The molecule is a prostanoid that is prostaglandin F2alpha which is lacking two methylenes in the carboxyalkyl chain and in which the hydroxy group at position 15 has been oxidised to the corresponding ketone. It has a role as a metabolite. It is a prostanoid, an oxo monocarboxylic acid, an enone and a secondary alcohol.

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

SELFIES: [C][C][C][C][C][C][=Branch1][C][=O][/C][=C][/C@@H1][C@@H1][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C][C@H1][Ring1][O][O]

InChI: InChI=1S/C16H26O5/c1-2-3-4-5-11(17)6-7-12-13(8-9-16(20)21)15(19)10-14(12)18/h6-7,12-15,18-19H,2-5,8-10H2,1H3,(H,20,21)/b7-6+/t12-,13-,14-,15+/m1/s1

Molecular Properties:
- Polar Surface Area: 94.8 Ų
- LogP: 1.4