Metabolomics Structure Database

 
MW REGNO: 78676
Common Name:Arg-Ala
Systematic Name:L-Arginyl-L-alanine
RefMet Name:Arg-Ala
Synonyms:Arginyl-alanine [PubChem Synonyms]
Exact Mass:
245.1488 (neutral)    Calculate m/z:
Formula:C9H19N5O3
InChIKey:WVRUNFYJIHNFKD-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:Dipeptides [C0004830]
MoNA MS spectra:View MS spectra
SMILES:C[C@@H](C(=O)O)NC(=O)[C@H](CCCNC(=N)N)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:7020333
CHEBI ID:73810
HMDB ID:HMDB0028702
Plant Metabolite Hub(Pmhub):MS000237708

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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