Metabolomics Structure Database

 
MW REGNO: 71488
Common Name:BIURET
Systematic Name:carbamoylurea
RefMet Name:Biuret
Synonyms: [PubChem Synonyms]
Exact Mass:
103.0380 (neutral)    Calculate m/z:
Formula:C2H5N3O2
InChIKey:OHJMTUPIZMNBFR-UHFFFAOYSA-N
ClassyFire superclass:Organic acids and derivatives [C0000264]
ClassyFire class:Organic carbonic acids and derivatives [C0000364]
ClassyFire subclass:Ureas [C0000517]
ClassyFire direct parent:Ureas [C0000517]
NP-MRD NMR spectra:View NMR spectra
SMILES:C(=O)(N)NC(=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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