Molecule ID: 5312557

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

Description: The molecule is a long-chain omega-3 fatty acid that is docosanoic acid having three double bonds located at positions 13, 16 and 19 (the (13Z,16Z,19Z-geoisomer). It is an omega-3 fatty acid and a docosatrienoic acid. It is a conjugate acid of a (13Z,16Z,19Z)-docosatrienoate.

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]

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)/b4-3-,7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 37.3 Ų
- LogP: 8.0