Metabolomics Structure Database

 
MW REGNO: 78656
Common Name:Ala-Ala
Systematic Name:L-Alanyl-L-alanine
Synonyms:Alanyl-alanine [PubChem Synonyms]
Exact Mass:
160.0848 (neutral)    Calculate m/z:
Formula:C6H12N2O3
InChIKey:DEFJQIDDEAULHB-IMJSIDKUSA-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:Dipeptides [C0004830]
MoNA MS spectra:View spectra
Studies:Available studies

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External database links:

PubChem CID:5484352
KEGG ID:C00993

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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