Metabolomics Structure Database

 
MW REGNO: 55914
Common Name:Triazamate
Systematic Name:ethyl {[3-tert-butyl-1-(dimethylcarbamoyl)-1H-1,2,4-triazol-5-yl]sulfanyl}acetate
RefMet Name:Triazamate
Synonyms:Triazuron [PubChem Synonyms]
Exact Mass:
314.1413 (neutral)    Calculate m/z:
Formula:C13H22N4O3S
InChIKey:NKNFWVNSBIXGLL-UHFFFAOYSA-N
ClassyFire superclass:Organosulfur compounds [C0000004]
ClassyFire class:Thioethers [C0001202]
ClassyFire subclass:Aryl thioethers [C0004631]
ClassyFire direct parent:Aryl thioethers [C0004631]
SMILES:CN(C)C(=O)[n]1[n]c([n]c1SCC(=O)OCC)C(C)(C)C
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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