Molecule ID: 5283013

IUPAC Name: (11Z,13E)-15-oxoicosa-11,13-dienoic acid

Description: The molecule is an oxoeicosadienoic acid that consists of 11Z,13E-oxoeicosadienoic acid with the oxo substituent located at position 15. It has a role as a metabolite. It is an OxoEDE and an enone. It derives from a 15-HEDE. It is a conjugate acid of a 15-oxo-EDE(1-).

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

SELFIES: [C][C][C][C][C][C][=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/h9,11,14,17H,2-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b11-9-,17-14+

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 6.3