Metabolomics Structure Database

 
MW REGNO: 67995
Common Name:Amidosulfuron
Systematic Name:1-(4,6-dimethoxypyrimidin-2-yl)-3-[methyl(methylsulfonyl)sulfamoyl]urea
RefMet Name:Amidosulfuron
Synonyms:Amidosulfuron [ISO]; AC1L3MSD; SureCN54922 [PubChem Synonyms]
Exact Mass:
369.0413 (neutral)    Calculate m/z:
Formula:C9H15N5O7S2
InChIKey:CTTHWASMBLQOFR-UHFFFAOYSA-N
ClassyFire superclass:Organic oxygen compounds [C0004603]
ClassyFire class:Organooxygen compounds [C0000323]
ClassyFire subclass:Ethers [C0000254]
ClassyFire direct parent:Alkyl aryl ethers [C0000128]
Massbank MS spectra:View MS spectra
SMILES:CN(S(=O)(=O)C)S(=O)(=O)NC(=O)Nc1nc(cc(n1)OC)OC
Studies:Available studies (via RefMet name)

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External database links:

PubChem CID:91777
CHEBI ID:2635
KEGG ID:C10933
EPA CompTox DB:DTXCID5031713
Plant Metabolite Hub(Pmhub):MS000002504

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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