Metabolomics Structure Database

 
MW REGNO: 85878
Common Name:Trp-Arg-Asn
Systematic Name:L-Tryptophanyl-L-arginyl-L-asparagine
RefMet Name:Trp-Arg-Asn
Synonyms:Tryptophanyl-arginyl-asparagine [PubChem Synonyms]
Exact Mass:
474.2339 (neutral)    Calculate m/z:
Formula:C21H30N8O5
InChIKey:PNKDNKGMEHJTJQ-BPUTZDHNSA-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:N[C@@H](Cc1c[nH]c2ccccc21)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(O)=O
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:145458271
CHEBI ID:164438

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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