Molecule ID: 5283012

IUPAC Name: (9E,11E)-13-oxooctadeca-9,11-dienoic acid

Description: The molecule is an oxooctadecadienoic acid that consists of 9E,11E-octadecadienoic acid with the oxo substituent located at position 13. It has a role as a metabolite. It is an oxo fatty acid and a 13-oxo-9,11-octadecadienoic acid.

SMILES: CCCCCC(=O)/C=C/C=C/CCCCCCCC(=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/h7,9,12,15H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7+,15-12+

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 5.2