Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-12-10 18:54:06 UTC
Update Date2022-08-31 06:11:52 UTC
Metabolite IDMMDBc0000747
Metabolite Identification
Common NameN-Linoleoylglycine
Description2-{[(9Z,12Z)-1-hydroxyoctadeca-9,12-dien-1-ylidene]amino}acetic acid belongs to the class of organic compounds known as n-acyl-alpha amino acids. N-acyl-alpha amino acids are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom. 2-{[(9Z,12Z)-1-hydroxyoctadeca-9,12-dien-1-ylidene]amino}acetic acid is a moderately basic compound (based on its pKa).
Structure
Synonyms
ValueSource
2-{[(9Z,12Z)-1-hydroxyoctadeca-9,12-dien-1-ylidene]amino}acetateGenerator
Molecular FormulaC20H35NO3
Average Mass337.504
Monoisotopic Mass337.261693991
IUPAC Name2-{[(9Z,12Z)-1-hydroxyoctadeca-9,12-dien-1-ylidene]amino}acetic acid
Traditional Name{[(9Z,12Z)-1-hydroxyoctadeca-9,12-dien-1-ylidene]amino}acetic acid
CAS Registry NumberNot Available
SMILES
CCCCC\C=C/C\C=C/CCCCCCCC(O)=NCC(O)=O
InChI Identifier
InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)21-18-20(23)24/h6-7,9-10H,2-5,8,11-18H2,1H3,(H,21,22)(H,23,24)/b7-6-,10-9-
InChI KeyYCRHZEHWEYAHCO-HZJYTTRNSA-N