Molecule ID: 5281118

IUPAC Name: (9Z,11E,13E)-4-oxooctadeca-9,11,13-trienoic acid

Description: The molecule is a trienoic fatty acid comprising alpha-eleostearic acid having a 4-oxo substituent. It is a 4-oxo monocarboxylic acid, an oxo fatty acid, a long-chain fatty acid, a straight-chain fatty acid and a trienoic fatty acid. It derives from a (9Z,11E,13E)-octadeca-9,11,13-trienoic acid.

SMILES: CCCC/C=C/C=C/C=C\CCCCC(=O)CCC(=O)O

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

InChI: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(19)15-16-18(20)21/h5-10H,2-4,11-16H2,1H3,(H,20,21)/b6-5+,8-7+,10-9-

Molecular Properties:
- Polar Surface Area: 54.4 Ų
- LogP: 4.4