Metabolomics Structure Database

 
MW REGNO: 85847
Common Name:Thr-Val-Lys
Systematic Name:L-Threonyl-L-valyl-L-lysine
RefMet Name:Thr-Val-Lys
Synonyms:Threonyl-valyl-lysine [PubChem Synonyms]
Exact Mass:
346.2216 (neutral)    Calculate m/z:
Formula:C15H30N4O5
InChIKey:PWONLXBUSVIZPH-RHYQMDGZSA-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@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H]([C@@H](C)O)N
Studies:Available studies (via RefMet name)

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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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