Metabolomics Structure Database

 
MW REGNO: 37046
Common Name:Argininosuccinic acid
Systematic Name:(2S)-2-{1-[(4S)-4-amino-4-carboxybutyl]carbamimidamido}butanedioic acid
RefMet Name:Argininosuccinic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
290.1226 (neutral)    Calculate m/z:
Formula:C10H18N4O6
InChIKey:KDZOASGQNOPSCU-WDSKDSINSA-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 MS spectra
NP-MRD NMR spectra:View NMR spectra
SMILES:N[C@@H](CCCNC(=N)N[C@@H](CC(O)=O)C(O)=O)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:16950
CHEBI ID:15682
HMDB ID:HMDB0000052
KEGG ID:C03406
Chemspider ID:16059
METLIN ID:5115
MetaCyc ID:L-ARGININO-SUCCINATE
NP-MRD ID(NMR):NP0000740
EPA CompTox DB:DTXCID40218622

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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