Molecule ID: 40488827

IUPAC Name: (13Z,16Z,19Z)-docosa-13,16,19-trienoate

Description: The molecule is a long-chain polyunsaturated fatty acid anion that is the conjugate base of (13Z,16Z,19Z)-docosatrienoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a long-chain fatty acid anion, a polyunsaturated fatty acid anion and a docosatrienoate. It is a conjugate base of a (13Z,16Z,19Z)-docosatrienoic acid.

SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)[O-]

SELFIES: [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]

InChI: InChI=1S/C22H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10H,2,5,8,11-21H2,1H3,(H,23,24)/p-1/b4-3-,7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 8.7