Molecule ID: 40490689

IUPAC Name: (5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosa-5,8,11-trienoate

Description: The molecule is a (5Z,8Z,11Z)-14,15-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosatrienoic acid; major species at pH 7.3. It is a conjugate base of a (5Z,8Z,11Z,14S,15S)-14,15-dihydroxyicosatrienoic acid. It is an enantiomer of a (5Z,8Z,11Z,14R,15R)-14,15-dihydroxyicosatrienoate.

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

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

InChI: InChI=1S/C20H34O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h4,6-7,9-10,13,18-19,21-22H,2-3,5,8,11-12,14-17H2,1H3,(H,23,24)/p-1/b6-4-,9-7-,13-10-/t18-,19-/m0/s1

Molecular Properties:
- Polar Surface Area: 80.6 Ų
- LogP: 4.9