Metabolomics Structure Database

 
MW REGNO: 38801
Common Name:N-Acetylasparagine
Systematic Name:(2S)-3-carbamoyl-2-acetamidopropanoic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
174.0641 (neutral)    Calculate m/z:
Formula:C6H10N2O4
InChIKey:HXFOXFJUNFFYMO-BYPYZUCNSA-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:Asparagine and derivatives [C0004312]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:99715
HMDB ID:HMDB0006028
Chemspider ID:90090

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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