Metabolomics Structure Database

 
MW REGNO: 78815
Common Name:Gly-Val
Systematic Name:Glycyl-L-valine
RefMet Name:Gly-Val
Synonyms:Glycyl-valine [PubChem Synonyms]
Exact Mass:
174.1004 (neutral)    Calculate m/z:
Formula:C7H14N2O3
InChIKey:STKYPAFSDFAEPH-LURJTMIESA-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]
Massbank MS spectra:View MS spectra
SMILES:CC(C)[C@@H](C(=O)O)NC(=O)CN
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:2724807
HMDB ID:HMDB0028854
Plant Metabolite Hub(Pmhub):MS000007702

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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