Molecule ID: 119058181

IUPAC Name: (5Z,8Z,11Z)-19-hydroxyicosa-5,8,11-trienoic acid

Description: The molecule is a HETrE that is (5Z,8Z,11Z)-icosatrienoic acid substituted at position 19 by a hydroxy group. It has a role as a human xenobiotic metabolite. It is a HETrE and an (omega-1)-hydroxy fatty acid. It derives from a (5Z,8Z,11Z)-icosatrienoic acid. It is a conjugate acid of a 19-HETrE(1-).

SMILES: CC(O)CCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O

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

InChI: InChI=1S/C20H34O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,10,12,19,21H,2,7-9,11,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,12-10-

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.3