Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NH2NHNHOOOOHOOHOH
MW REGNO: 80472
Common Name:Asp-Leu-Thr
Systematic Name:L-Aspartyl-L-leucyl-L-threonine
RefMet Name:Asp-Leu-Thr
Synonyms:Aspartyl-leucyl-threonine [PubChem Synonyms]
Exact Mass:
347.1693 (neutral)    Calculate m/z:
Formula:C14H25N3O7
InChIKey:ORRJQLIATJDMQM-HJGDQZAQSA-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]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CC(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:10154707
CHEBI ID:160702

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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