RefMet Compound Details

MW structure37168 (View MW Metabolite Database details)
RefMet nameThymine
Systematic name5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
SMILESCC1=CNC(=O)NC1=O
Sum CompositionThymine View other entries in RefMet with this sum composition
Exact mass126.042928 (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
FormulaC5H6N2O2View other entries in RefMet with this formula
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPyrimidines
Sub ClassPyrimidines
Pubchem CID1135
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Thymine

Rxn IDKEGG ReactionEnzyme
R01570 Thymidine + Orthophosphate <=> Thymine + 2-Deoxy-D-ribose 1-phosphatethymidine:phosphate deoxy-alpha-D-ribosyltransferase
R01415 (R)-5,6-Dihydrothymine + NADP+ <=> Thymine + NADPH + H+5,6-Dihydrothymine:NADP+ oxidoreductase
R02806 Thymidine + Base <=> Deoxynucleoside + ThymineNucleoside:purine(pyrimidine) deoxy-D-ribosyltransferase
R11026 (R)-5,6-Dihydrothymine + NAD+ <=> Thymine + NADH + H+(R)-5,6-dihydrothymine:NAD+ oxidoreductase

Table of KEGG human pathways containing Thymine

Pathway IDHuman Pathway# of reactions
hsa00240 Pyrimidine metabolism 2
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