Metabolomics Structure Database

 
MW REGNO: 83755
Common Name:Lys-Pro-Val
Systematic Name:L-Lysyl-L-prolyl-L-valine
RefMet Name:Lys-Pro-Val
Synonyms:Lysyl-prolyl-valine [PubChem Synonyms]
Exact Mass:
342.2267 (neutral)    Calculate m/z:
Formula:C16H30N4O4
InChIKey:YSPZCHGIWAQVKQ-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@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)CCCCN)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:125672
CHEBI ID:160254

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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