Molecule ID: 129626621

IUPAC Name: (5Z,8Z,11Z)-13,14,15-trihydroxyicosa-5,8,11-trienoate

Description: The molecule is a trihydroxyicosatrienoate that is the conjugate base of 13,14,15-trihydroxy-(5Z,8Z,11Z)-icosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a 13,14,15-trihydroxy-(5Z,8Z,11Z)-icosatrienoic acid.

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

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

InChI: InChI=1S/C20H34O5/c1-2-3-11-14-17(21)20(25)18(22)15-12-9-7-5-4-6-8-10-13-16-19(23)24/h5-8,12,15,17-18,20-22,25H,2-4,9-11,13-14,16H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,15-12-

Molecular Properties:
- Polar Surface Area: 101.0 Ų
- LogP: 3.8