Metabolomics Structure Database

 
MW REGNO: 37441
Common Name:N-Acetyl-L-aspartic acid
Systematic Name:(2S)-2-acetamidobutanedioic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
175.0481 (neutral)    Calculate m/z:
Formula:C6H9NO5
InChIKey:OTCCIMWXFLJLIA-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:Aspartic acid and derivatives [C0004317]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:65065
CHEBI ID:21547
HMDB ID:HMDB0000812
KEGG ID:C01042
Chemspider ID:58576
METLIN ID:5776
BMRB ID:bmse000423
MetaCyc ID:CPD-420
EPA CompTox DB:DTXCID20811256

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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