Metabolomics Structure Database

 
MW REGNO: 78923
Common Name:Phe-Gly
Systematic Name:L-Phenylalanyl-glycine
RefMet Name:Phe-Gly
Synonyms:Phenylalanyl-glycine [PubChem Synonyms]
Exact Mass:
222.1004 (neutral)    Calculate m/z:
Formula:C11H14N2O3
InChIKey:GLUBLISJVJFHQS-VIFPVBQESA-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:c1ccc(cc1)C[C@@H](C(=O)NCC(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:6992304
CHEBI ID:73635
HMDB ID:HMDB0028995
Plant Metabolite Hub(Pmhub):MS000241490

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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