Metabolomics Structure Database

 
MW REGNO: 83262
Common Name:Leu-Leu-Glu
Systematic Name:L-Leucyl-L-leucyl-L-glutamic acid
RefMet Name:Leu-Leu-Glu
Synonyms:Leucyl-leucyl-glutamic acid [PubChem Synonyms]
Exact Mass:
373.2213 (neutral)    Calculate m/z:
Formula:C17H31N3O6
InChIKey:QNBVTHNJGCOVFA-AVGNSLFASA-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:Tripeptides
SMILES:CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:484684
CHEBI ID:159311
EPA CompTox DB:DTXCID00964759

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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