RefMet Compound Details

MW structure46118 (View MW Metabolite Database details)
RefMet nameAcesulfame
Systematic name6-methyl-3,4-dihydro-1,2$l^{6},3-oxathiazine-2,2,4-trione
SMILESCC1=CC(=O)NS(=O)(=O)O1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass162.993928 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H5NO4SView other entries in RefMet with this formula
InChIKeyYGCFIWIQZPHFLU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassOrganic sulfuric acids
Sub ClassOrganic sulfuric acids
Pubchem CID36573
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)