Molecule ID: 46878369

IUPAC Name: (5Z,9E,12R,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate

Description: The molecule is conjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid function. It has a role as a human metabolite. It is a conjugate base of a (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid.

SMILES: CCCCC/C=C\C[C@@H](O)C(O)/C=C/C(O)C/C=C\CCCC(=O)[O-]

SELFIES: [C][C][C][C][C][/C][=C][\C][C@@H1][Branch1][C][O][C][Branch1][C][O][/C][=C][/C][Branch1][C][O][C][/C][=C][\C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19?/m1/s1

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