Molecule ID: 129626662

IUPAC Name: (5Z,8Z)-10-[3-[(Z)-8-hydroxyoct-2-enyl]oxiran-2-yl]deca-5,8-dienoate

Description: The molecule is an epoxy(hydroxy)icosatrienoate that is the conjugate base of 20-hydroxy-11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoic acid arising from deprotonation of the carboxylic acid function; major species at pH 7.3. It is an omega-hydroxy fatty acid anion, a hydroxy fatty acid anion, an icosanoid anion and a polyunsaturated fatty acid anion. It derives from an 11,12-EET(1-). It is a conjugate base of an 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoic acid.

SMILES: O=C([O-])CCC/C=C\C/C=C\CC1OC1C/C=C\CCCCCO

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

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

Molecular Properties:
- Polar Surface Area: 72.9 Ų
- LogP: 4.5