Molecule ID: 129626826

IUPAC Name: (5Z)-5-[(3aR,4R,5R,6aS)-4-[(E,3S)-3,7-dihydroxyoct-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-ylidene]pentanoate

Description: The molecule is a prostaglandin carboxylic acid anion that is the conjugate base of 19-hydroxyprostaglandin I2, obtained by deprotonation of the carboxy group; major species at pH 7.3. It derives from a prostaglandin I2(1-). It is a conjugate base of a 19-hydroxyprostaglandin I2.

SMILES: CC(O)CCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@H]2C[C@H]1O

SELFIES: [C][C][Branch1][C][O][C][C][C][C@H1][Branch1][C][O][/C][=C][/C@@H1][C@H1][C][/C][=Branch1][#Branch2][=C][/C][C][C][C][=Branch1][C][=O][O-1][O][C@H1][Ring1][N][C][C@H1][Ring1][#C][O]

InChI: InChI=1S/C20H32O6/c1-13(21)5-4-6-14(22)9-10-16-17-11-15(7-2-3-8-20(24)25)26-19(17)12-18(16)23/h7,9-10,13-14,16-19,21-23H,2-6,8,11-12H2,1H3,(H,24,25)/p-1/b10-9+,15-7-/t13?,14-,16+,17+,18+,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 110.0 Ų
- LogP: 2.1