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:
Formula:C7H11NO5
InChIKey:RFMMMVDNIPUKGG-YFKPBYRVSA-N
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]
MoNA MS spectra:View MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:CC(=O)N[C@@H](CCC(O)=O)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:70914
CHEBI ID:17533
HMDB ID:HMDB0001138
KEGG ID:C00624
BMRB ID:bmse000382
NP-MRD ID(NMR):NP0000536

References

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

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