Metabolomics Structure Database

 
MW REGNO: 67993
Common Name:Prosulfuron
Systematic Name:1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonyl-urea
RefMet Name:Prosulfuron
Synonyms:Prosulfuron [ISO] [PubChem Synonyms]
Exact Mass:
419.0875 (neutral)    Calculate m/z:
Formula:C15H16F3N5O4S
InChIKey:LTUNNEGNEKBSEH-UHFFFAOYSA-N
ClassyFire superclass:Organic nitrogen compounds [C0004707]
ClassyFire class:Organonitrogen compounds [C0000278]
ClassyFire subclass:Sulfonylureas [C0000490]
ClassyFire direct parent:S-triazinyl-2-sulfonylureas [C0004706]
MoNA MS spectra:View MS spectra
SMILES:Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2CCC(F)(F)F)nc(n1)OC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:91751
KEGG ID:C10950
EPA CompTox DB:DTXCID7014868
Plant Metabolite Hub(Pmhub):MS000001752

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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