Metabolomics Structure Database

 
MW REGNO: 79016
Common Name:Tyr-Ala
Systematic Name:L-Tyrosyl-L-alanine
RefMet Name:Tyr-Ala
Synonyms:Tyrosyl-alanine [PubChem Synonyms]
Exact Mass:
252.1110 (neutral)    Calculate m/z:
Formula:C12H16N2O4
InChIKey:NLKUJNGEGZDXGO-XVKPBYJWSA-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]
SMILES:C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:5496455
CHEBI ID:74879
HMDB ID:HMDB0029098
Plant Metabolite Hub(Pmhub):MS000000607

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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