Molecule ID: 5461005

IUPAC Name: (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Description: The molecule is a linolenate that is the conjugate base of alpha-linolenic acid, arising from deprotonation of the carboxylic acid group. It has a role as a human metabolite. It is a conjugate base of an alpha-linolenic acid.

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

SELFIES: [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/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/p-1/b4-3-,7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 40.1 Ų
- LogP: 6.5