Molecule ID: 135563671

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

Description: The molecule is an N-acylglycinate that is the conjugate base of N-(9Z,12Z,15Z)-octadecatrienoylglycine, obtained by deprotonation of the carboxy group; major species at pH 7.3. It is a conjugate base of a N-(9Z,12Z,15Z)-octadecatrienoylglycine.

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-1][=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)/p-1/b4-3-,7-6-,10-9-

Molecular Properties:
- Polar Surface Area: 69.2 Ų
- LogP: 5.9