Metabolomics Structure Database

 
MW REGNO: 49629
Common Name:Melamine
Systematic Name:1,3,5-triazinane-2,4,6-triimine
RefMet Name:Melamine
Synonyms: [PubChem Synonyms]
Exact Mass:
126.0654 (neutral)    Calculate m/z:
Formula:C3H6N6
InChIKey:JDSHMPZPIAZGSV-UHFFFAOYSA-N
ClassyFire superclass:Organoheterocyclic compounds [C0000002]
ClassyFire class:Triazines [C0000098]
ClassyFire subclass:Aminotriazines [C0001693]
ClassyFire direct parent:Aminotriazines [C0001693]
Massbank MS spectra:View MS spectra
SMILES:c1(N)nc(N)nc(N)n1
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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