RefMet Compound Details

MW structure37186 (View MW Metabolite Database details)
RefMet nameXanthine
Systematic name2,3,6,7-tetrahydro-1H-purine-2,6-dione
SMILESc1nc2c([nH]1)[nH]c(=O)[nH]c2=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass152.033426 (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
FormulaC5H4N4O2View other entries in RefMet with this formula
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassXanthines
Pubchem CID1188
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Xanthine

Rxn IDKEGG ReactionEnzyme
R02107 Xanthine + H2O + Oxygen <=> Urate + Hydrogen peroxideXanthine:oxygen oxidoreductase
R01768 Hypoxanthine + NAD+ + H2O <=> Xanthine + NADH + H+hypoxanthine:NAD+ oxidoreductase
R02297 Xanthosine + Orthophosphate <=> Xanthine + alpha-D-Ribose 1-phosphateXanthosine:orthophosphate ribosyltransferase
R02143 Xanthosine + H2O <=> Xanthine + D-RiboseXanthosine ribohydrolase
R01676 Guanine + H2O <=> Xanthine + AmmoniaGuanine aminohydrolase
R01769 Hypoxanthine + Oxygen + H2O <=> Xanthine + Hydrogen peroxideHypoxanthine:oxygen oxidoreductase
R02142 Xanthosine 5'-phosphate + Diphosphate <=> Xanthine + 5-Phospho-alpha-D-ribose 1-diphosphateXMP:pyrophosphate phosphoribosyltransferase
R02103 Xanthine + NAD+ + H2O <=> Urate + NADH + H+xanthine:NAD+ oxidoreductase

Table of KEGG human pathways containing Xanthine

Pathway IDHuman Pathway# of reactions
hsa00230 Purine metabolism 7
hsa01100 Metabolic pathways 1