Molecule ID: 10040121

IUPAC Name: (6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoic acid

Description: The molecule is a hydroxyoctadecatrienoic acid that consists of 6Z,9Z,11E-octadecatrienoic acid having the hydroxy group located at position 13. It has a role as a metabolite.

SMILES: CCCCCC(O)/C=C/C=C\C/C=C\CCCCC(=O)O

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

InChI: InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4-,9-7-,15-12+

Molecular Properties:
- Polar Surface Area: 57.5 Ų
- LogP: 4.7