Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0NH2NOONHOOHOOHNHNH2NH
MW REGNO: 80537
Common Name:Asp-Pro-Arg
Systematic Name:L-Aspartyl-L-prolyl-L-arginine
RefMet Name:Asp-Pro-Arg
Synonyms:Aspartyl-prolyl-arginine [PubChem Synonyms]
Exact Mass:
386.1914 (neutral)    Calculate m/z:
Formula:C15H26N6O6
InChIKey:ZKAOJVJQGVUIIU-GUBZILKMSA-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:C(C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)N)CNC(=N)N
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:9886467
CHEBI ID:160829

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

  logo