RefMet Compound Details

RefMet ID	RM0156978
MW structure	37671 (View MW Metabolite Database details)
RefMet name	dTMP
Systematic name	5-Thymidylic acid
SMILES	Cc1cn([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 mass	322.056606 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H15N2O8P	View other entries in RefMet with this formula
InChI	InChI=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
InChIKey	GYOZYWVXFNDGLU-XLPZGREQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine dNMP
Pubchem CID	9700
ChEBI ID	17013
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dTMP

Rxn ID	KEGG Reaction	Enzyme
R01567	ATP + Thymidine <=> ADP + dTMP	ATP:thymidine 5'-phosphotransferase
R01569	dTMP + H2O <=> Thymidine + Orthophosphate	thymidylate 5'-phosphohydrolase
R02092	dTDP + H2O <=> dTMP + Orthophosphate	dTDP phosphohydrolase
R02094	ATP + dTMP <=> ADP + dTDP	ATP:dTMP phosphotransferase
R02101	dUMP + 5,10-Methylenetetrahydrofolate <=> Dihydrofolate + dTMP	5,10-Methylenetetrahydrofolate:dUMP C-methyltransferase
R11323	dTTP + H2O <=> dTMP + Diphosphate	dTTP diphosphohydrolase

Table of KEGG human pathways containing dTMP

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