Molecule ID: 6439889

IUPAC Name: methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate

Description: The molecule is a fatty acid methyl ester obtained from the formal condensation of methanol and gamma-linolenic acid. It has a role as a bacterial metabolite, an apoptosis inducer, an antineoplastic agent and an antibacterial agent. It derives from a gamma-linolenic acid.

SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC

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

InChI: InChI=1S/C19H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11,13-14H,3-6,9,12,15-18H2,1-2H3/b8-7-,11-10-,14-13-

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 6.2