RefMet Compound Details

MW structure37671 (View MW Metabolite Database details)
RefMet namedTMP
Systematic name5-Thymidylic acid
SMILESCC1=CN([C@@H]2C[C@@H](O)[C@H](COP(O)(O)=O)O2)C(=O)NC1=O
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
InChIInChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
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
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