Molecule ID: 5283143

IUPAC Name: (5S,6E,8Z,11Z)-5-hydroxyicosa-6,8,11-trienoic acid

Description: The molecule is a 5-HETrE consisting of (6E,8Z,11Z)-icosatrienoic acid in which the 5-hydroxy group has S-configuration. It has a role as a human xenobiotic metabolite.

SMILES: CCCCCCCC/C=C\C/C=C\C=C\[C@@H](O)CCCC(=O)O

SELFIES: [C][C][C][C][C][C][C][C][/C][=C][\C][/C][=C][\C][=C][\C@@H1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O]

InChI: InChI=1S/C20H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(21)17-15-18-20(22)23/h9-10,12-14,16,19,21H,2-8,11,15,17-18H2,1H3,(H,22,23)/b10-9-,13-12-,16-14+/t19-/m1/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.9