Molecule ID: 71751402

IUPAC Name: (6E,8Z)-5-oxooctadeca-6,8-dienoic acid

Description: The molecule is an octadecanoid that is (6E,8Z)-octadecadienoic acid carrying an additional oxo substituent at position 5. It has a role as a human metabolite. It is an enone, an octadecanoid, a long-chain fatty acid, an oxo fatty acid and a polyunsaturated fatty acid.

SMILES: CCCCCCCCC/C=C\C=C\C(=O)CCCC(=O)O

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

InChI: InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(19)15-13-16-18(20)21/h10-12,14H,2-9,13,15-16H2,1H3,(H,20,21)/b11-10-,14-12+

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 5.4