Metabolomics Structure Database

 
MW REGNO: 78761
Common Name:Gln-Gln
Systematic Name:L-Glutaminyl-L-glutamine
RefMet Name:Gln-Gln
Synonyms:Glutaminyl-glutamine [PubChem Synonyms]
Exact Mass:
274.1277 (neutral)    Calculate m/z:
Formula:C10H18N4O5
InChIKey:LOJYQMFIIJVETK-WDSKDSINSA-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:NC(=O)CC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:7010588
HMDB ID:HMDB0028795

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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