Molecule ID: 129626664

IUPAC Name: (5Z,8Z,11Z)-13-[3-(5-hydroxypentyl)oxiran-2-yl]trideca-5,8,11-trienoate

Description: The molecule is an icosanoid anion that is the conjugate base of 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, an icosanoid anion, a hydroxy fatty acid anion and a polyunsaturated fatty acid anion. It derives from a 14,15-EET(1-). It is a conjugate base of a 14,15-epoxy-20-hydroxy-(5Z,8Z,11Z)-icosatrienoic acid.

SMILES: O=C([O-])CCC/C=C\C/C=C\C/C=C\CC1OC1CCCCCO

SELFIES: [O][=C][Branch1][C][O-1][C][C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][O][C][Ring1][Ring1][C][C][C][C][C][O]

InChI: InChI=1S/C20H32O4/c21-17-13-9-11-15-19-18(24-19)14-10-7-5-3-1-2-4-6-8-12-16-20(22)23/h1,3-4,6-7,10,18-19,21H,2,5,8-9,11-17H2,(H,22,23)/p-1/b3-1-,6-4-,10-7-

Molecular Properties:
- Polar Surface Area: 72.9 Ų
- LogP: 4.3