RefMet Compound Details

MW structure41118 (View MW Metabolite Database details)
RefMet name1,7-Dimethyluric acid
Systematic name1,7-dimethyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
SMILESCn1c(=O)[nH]c2[nH]c(=O)n(C)c2c1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass196.059641 (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
FormulaC7H8N4O3View other entries in RefMet with this formula
InChIKeyNOFNCLGCUJJPKU-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassXanthines
Pubchem CID91611
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 1,7-Dimethyluric acid

Rxn IDKEGG ReactionEnzyme
R07945 1,7-Dimethylxanthine <=> 1,7-Dimethyluric acid1,7-Dimethylxanthine <=> 1,7-Dimethyluric acid
R07977 1,7-Dimethylxanthine + Oxygen + H2O <=> 1,7-Dimethyluric acid + Hydrogen peroxide1,7-dimethylxanthine:oxygen oxidoreductase

Table of KEGG human pathways containing 1,7-Dimethyluric acid

Pathway IDHuman Pathway# of reactions
hsa00232 Caffeine metabolism 2