Molecule ID: 11515538

IUPAC Name: 2-[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]amino]acetic acid

Description: The molecule is an N-acylglycine in which the acyl group is specified as (9Z,12Z,15Z)-octadecatrienoyl (linolenoyl). It is a N-acylglycine and a fatty amide. It derives from an alpha-linolenic acid. It is a conjugate acid of a N-(9Z,12Z,15Z)-octadecatrienoylglycinate.

SMILES: CC/C=C\C/C=C\C/C=C\CCCCCCCC(O)=NCC(=O)O

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

InChI: InChI=1S/C20H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h3-4,6-7,9-10H,2,5,8,11-18H2,1H3,(H,21,22)(H,23,24)/b4-3-,7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 66.4 Ų
- LogP: 5.2