RefMet Compound Details

MW structure38031 (View MW Metabolite Database details)
RefMet name1,3,7-Trimethyluric acid
Systematic name1,3,7-trimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
SMILESCn1c2c([nH]c1=O)n(C)c(=O)n(C)c2=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass210.075291 (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
FormulaC8H10N4O3View other entries in RefMet with this formula
InChIKeyBYXCFUMGEBZDDI-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassXanthines
Pubchem CID79437
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)