Molecule ID: 129626623

IUPAC Name: (5Z,8Z,13E)-11,12,15-trihydroxyicosa-5,8,13-trienoate

Description: The molecule is a trihydroxyicosatrienoate that is the conjugate base of 11,12,15-trihydroxy-(5Z,8Z,13E)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of an 11,12,15-trihydroxy-(5Z,8Z,13E)-icosatrienoic acid.

SMILES: CCCCCC(O)/C=C/C(O)C(O)C/C=C\C/C=C\CCCC(=O)[O-]

SELFIES: [C][C][C][C][C][C][Branch1][C][O][/C][=C][/C][Branch1][C][O][C][Branch1][C][O][C][/C][=C][\C][/C][=C][\C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C20H34O5/c1-2-3-9-12-17(21)15-16-19(23)18(22)13-10-7-5-4-6-8-11-14-20(24)25/h4,6-7,10,15-19,21-23H,2-3,5,8-9,11-14H2,1H3,(H,24,25)/p-1/b6-4-,10-7-,16-15+

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.6