Molecule ID: 5283145

IUPAC Name: (8Z,11Z,13E,15S)-15-hydroxyicosa-8,11,13-trienoic acid

Description: The molecule is a 15-HETrE consisting of (8Z,11Z,13E)-icosatrienoic acid in which the 15-hydroxy group has S-configuration. It has a role as a human xenobiotic metabolite and a mouse metabolite.

SMILES: CCCCC[C@H](O)/C=C/C=C\C/C=C\CCCCCCC(=O)O

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

InChI: InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14+/t19-/m0/s1

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 5.7