Molecule ID: 129626661

IUPAC Name: (Z)-7-[3-[(2Z,5Z)-11-hydroxyundeca-2,5-dienyl]oxiran-2-yl]hept-5-enoic acid

Description: The molecule is an epoxy(hydroxy)icosatrienoic acid that is (5Z,11Z,14Z)-icosatrienoic acid having the epoxide group across positions 8-9 and the hydroxy substituent located at position 20. It is an omega-hydroxy fatty acid and an epoxy(hydroxy)icosatrienoic acid. It derives from an arachidonic acid. It is a conjugate acid of an 8,9-epoxy-20-hydroxy-(5Z,11Z,14Z)-icosatrienoate.

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

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

InChI: InChI=1S/C20H32O4/c21-17-13-9-5-3-1-2-4-6-10-14-18-19(24-18)15-11-7-8-12-16-20(22)23/h1-2,6-7,10-11,18-19,21H,3-5,8-9,12-17H2,(H,22,23)/b2-1-,10-6-,11-7-

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