RefMet Compound Details

MW structure37671 (View MW Metabolite Database details)
RefMet namedTMP
Systematic name5-Thymidylic acid
SMILESCc1cn([C@H]2C[C@@H]([C@@H](COP(=O)(O)O)O2)O)c(=O)[nH]c1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass322.056606 (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
FormulaC10H15N2O8PView other entries in RefMet with this formula
InChIKeyGYOZYWVXFNDGLU-XLPZGREQSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPyrimidines
Sub ClassPyrimidine dNMP
Pubchem CID9700
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dTMP

Rxn IDKEGG ReactionEnzyme
R01569 dTMP + H2O <=> Thymidine + Orthophosphatethymidylate 5'-phosphohydrolase
R02092 dTDP + H2O <=> dTMP + OrthophosphatedTDP phosphohydrolase
R02101 dUMP + 5,10-Methylenetetrahydrofolate <=> Dihydrofolate + dTMP5,10-Methylenetetrahydrofolate:dUMP C-methyltransferase
R01567 ATP + Thymidine <=> ADP + dTMPATP:thymidine 5'-phosphotransferase
R11323 dTTP + H2O <=> dTMP + DiphosphatedTTP diphosphohydrolase
R02094 ATP + dTMP <=> ADP + dTDPATP:dTMP phosphotransferase

Table of KEGG human pathways containing dTMP

Pathway IDHuman Pathway# of reactions
hsa00240 Pyrimidine metabolism 6
hsa00670 One carbon pool by folate 1