RefMet Compound Details

MW structure62844 (View MW Metabolite Database details)
RefMet nameTMP
Systematic nameThymidine-5'- monophosphate
SMILESCc1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)O)O2)O)O)c(=O)[nH]c1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass338.051521 (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
FormulaC10H15N2O9PView other entries in RefMet with this formula
InChIInChI=1S/C10H15N2O9P/c1-4-2-12(10(16)11-8(4)15)9-7(14)6(13)5(21-9)3-20-22(17,18)19/h2,5-7,9,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,1
9)/t5-,6-,7-,9-/m1/s1
InChIKeyIGWHDMPTQKSDTL-JXOAFFINSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPyrimidines
Sub ClassPyrimidine rNMP
Pubchem CID12803287
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving TMP

Rxn IDKEGG ReactionEnzyme
R00615 Thiamin diphosphate + H2O <=> Thiamin monophosphate + OrthophosphateThiamin diphosphate phosphohydrolase
R00617 ATP + Thiamin monophosphate <=> ADP + Thiamin diphosphateATP:thiamin-phosphate phosphotransferase
R02134 ATP + Thiamine <=> ADP + Thiamin monophosphateATP:thiamine phosphotransferase
R02135 Thiamin monophosphate + H2O <=> Thiamine + Orthophosphatethiamin monophosphate phosphohydrolase

Table of KEGG human pathways containing TMP

Pathway IDHuman Pathway# of reactions
hsa00730 Thiamine metabolism 2
hsa01100 Metabolic pathways 2
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