Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NH2NHNHOOOOHONH2OOHS
MW REGNO: 79928
Common Name:Asn-Asp-Met
Systematic Name:L-Asparaginyl-L-aspartyl-L-methionine
RefMet Name:Asn-Asp-Met
Synonyms:Asparaginyl-aspartyl-methionine [PubChem Synonyms]
Exact Mass:
378.1209 (neutral)    Calculate m/z:
Formula:C13H22N4O7S
InChIKey:BGINHSZTXRJIPP-FXQIFTODSA-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:Tripeptides
SMILES:CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145454056
CHEBI ID:159618

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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