Molecule ID: 9548882

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

Description: The molecule is a prostanoid that is prostaglandin F1alpha lacking two methylenes in the carboxyalkyl chain and having inverted stereochemistry at the 8-position. It derives from a prostaglandin F1alpha.

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

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

InChI: InChI=1S/C18H32O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h10-11,13-17,19-21H,2-9,12H2,1H3,(H,22,23)/b11-10+/t13-,14-,15+,16-,17+/m0/s1

Molecular Properties:
- Polar Surface Area: 98.0 Ų
- LogP: 2.4