Metabolomics Structure Database

MW REGNO: 49869
Common Name:N-acetylglutamate
Systematic Name:(2S)-2-acetamidopentanedioic acid
RefMet Name:N-Acetylglutamic acid
Synonyms:(2S)-2-acetamidoglutaric acid [PubChem Synonyms]
Exact Mass:
189.0637 (neutral)    Calculate m/z:
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Carboxylic acids and derivatives [C0000265]
ClassyFire subclass:Amino acids, peptides, and analogues [C0000013]
ClassyFire direct parent:Glutamic acid and derivatives [C0004323]
Massbank MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:70914
CHEBI ID:17533
KEGG ID:C00624
BMRB ID:bmse000382
NP-MRD ID(NMR):NP0000536
Plant Metabolite Hub(Pmhub):MS000000429

Calculated physicochemical properties (?):

Heavy Atoms: 13  
Rings: 0  
Aromatic Rings: 0  
Rotatable Bonds: 5  
van der Waals Molecular volume: 176.69 Å3 molecule-1  
Toplogical Polar Sufrace Area: 103.70 Å2 molecule-1  
Hydrogen Bond Donors: 3  
Hydrogen Bond Acceptors: 5  
logP: -0.27  
Molar Refractivity: 42.62  
Fraction sp3 Carbons: 0.57  
sp3 Carbons: 4  

Human Pathway links:

REACTOME pathways containing this metabolite


LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y