Molecule ID: 129626663

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

Description: The molecule is an epoxy(hydroxy)icosatrienoic acid that is (5Z,8Z,14Z)-icosatrienoic acid having the epoxide group across positions 11-12 and the hydroxy substituent located at position 20. It is an epoxy(hydroxy)icosatrienoic acid and an omega-hydroxy fatty acid. It derives from an arachidonic acid. It is a conjugate acid of an 11,12-epoxy-20-hydroxy-(5Z,8Z,14Z)-icosatrienoate.

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

SELFIES: [O][=C][Branch1][C][O][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)/b3-1-,10-6-,11-7-

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 3.8