Molecule ID: 26116698

IUPAC Name: (Z)-7-[2-[(1E,3S,5Z)-3-hydroxyocta-1,5-dienyl]-5-oxocyclopenten-1-yl]hept-5-enoate

Description: The molecule is a prostaglandin carboxylic acid anion that is the conjugate base of prostaglandin B3, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a prostaglandin B3.

SMILES: CC/C=C\C[C@H](O)/C=C/C1=C(C/C=C\CCCC(=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/C20H28O4/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/h3-4,6-7,12,14,17,21H,2,5,8-11,13,15H2,1H3,(H,23,24)/p-1/b6-3-,7-4-,14-12+/t17-/m0/s1

Molecular Properties:
- Polar Surface Area: 77.4 Ų
- LogP: 3.4