Metabolomics Structure Database

 
MW REGNO: 78837
Common Name:Ile-Arg
Systematic Name:L-Isoleucyl-L-arginine
RefMet Name:Ile-Arg
Synonyms:Isoleucyl-arginine [PubChem Synonyms]
Exact Mass:
287.1957 (neutral)    Calculate m/z:
Formula:C12H25N5O3
InChIKey:HYXQKVOADYPQEA-CIUDSAMLSA-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:Dipeptides [C0004830]
SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)N
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:7021814
CHEBI ID:74061
HMDB ID:HMDB0028901
Plant Metabolite Hub(Pmhub):MS000239404

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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