Metabolomics Structure Database

 
MW REGNO: 78854
Common Name:Ile-Tyr
Systematic Name:L-Isoleucyl-L-tyrosine
RefMet Name:Ile-Tyr
Synonyms:Isoleucyl-tyrosine [PubChem Synonyms]
Exact Mass:
294.1580 (neutral)    Calculate m/z:
Formula:C15H22N2O4
InChIKey:MUFXDFWAJSPHIQ-XDTLVQLUSA-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:CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:7408195
CHEBI ID:74326
HMDB ID:HMDB0028919
Plant Metabolite Hub(Pmhub):MS000241052

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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