Molecule ID: 119058184

IUPAC Name: (5Z,8Z,11Z)-20-hydroxyicosa-5,8,11-trienoic acid

Description: The molecule is a HETrE that is (5Z,8Z,11Z)-icosatrienoic acid substituted at position 20 by a hydroxy group. It has a role as a human xenobiotic metabolite. It is a HETrE and an omega-hydroxy fatty acid. It derives from a (5Z,8Z,11Z)-icosatrienoic acid. It is a conjugate acid of a 20-HETrE(1-).

SMILES: O=C(O)CCC/C=C\C/C=C\C/C=C\CCCCCCCCO

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

InChI: InChI=1S/C20H34O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6,10,12,21H,2,5,7-9,11,13-19H2,(H,22,23)/b3-1-,6-4-,12-10-

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.4