Metabolomics Structure Database

 
MW REGNO: 78664
Common Name:Ala-His
Systematic Name:L-Alanyl-L-histidine
RefMet Name:Ala-His
Synonyms:Alanyl-histidine [PubChem Synonyms]
Exact Mass:
226.1066 (neutral)    Calculate m/z:
Formula:C9H14N4O3
InChIKey:XZWXFWBHYRFLEF-FSPLSTOPSA-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)N[C@@H](Cc1c[nH]cn1)C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:9837455
CHEBI ID:73771
HMDB ID:HMDB0028689
Plant Metabolite Hub(Pmhub):MS000242538

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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