Molecule ID: 129626659

IUPAC Name: 4-[3-[(2Z,5Z,8Z)-14-hydroxytetradeca-2,5,8-trienyl]oxiran-2-yl]butanoic acid

Description: The molecule is an epoxy(hydroxy)icosatrienoic acid that is (8Z,11Z,14Z)-icosatrienoic acid having the epoxide group across positions 5-6 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 a 5,6-epoxy-20-hydroxy-(8Z,11Z,14Z)-icosatrienoate.

SMILES: O=C(O)CCCC1OC1C/C=C\C/C=C\C/C=C\CCCCCO

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

InChI: InChI=1S/C20H32O4/c21-17-12-10-8-6-4-2-1-3-5-7-9-11-14-18-19(24-18)15-13-16-20(22)23/h2-5,9,11,18-19,21H,1,6-8,10,12-17H2,(H,22,23)/b4-2-,5-3-,11-9-

Molecular Properties:
- Polar Surface Area: 70.1 Ų
- LogP: 3.9