Molecule ID: 40468118

IUPAC Name: 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoate

Description: The molecule is a prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B1, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is an organic molecular entity, a prostaglandins B and a prostaglandin carboxylic acid anion. It is a conjugate base of a prostaglandin B1.

SMILES: CCCCC[C@H](O)/C=C/C1=C(CCCCCCC(=O)[O-])C(=O)CC1

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

InChI: InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/p-1/b14-12+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 4.6