RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136085
RefMet name	dTDP
Systematic name	{[hydroxy({[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphoryl]oxy}phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	402.022939 (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	C10H16N2O11P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37701 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11, 14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey	UJLXYODCHAELLY-XLPZGREQSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	Cc1cn([C@H]2C[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O)O2)O)c(=O)[nH]c1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine dNDP
Distribution of dTDP in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting dTDP
External Links
Pubchem CID	164628
ChEBI ID	18075
KEGG ID	C00363
HMDB ID	HMDB0001274
Chemspider ID	144320
MetaCyc ID	TDP
Spectral data for dTDP standards
MassBank(EU)	View MS spectra
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dTDP

Rxn ID	KEGG Reaction	Enzyme
R02092	dTDP + H2O <=> dTMP + Orthophosphate	dTDP phosphohydrolase
R02093	ATP + dTDP <=> ADP + dTTP	ATP:dTDP phosphotransferase
R02094	ATP + dTMP <=> ADP + dTDP	ATP:dTMP phosphotransferase
R02095	dTTP + H2O <=> dTDP + Orthophosphate	dTTP nucleotidohydrolase

Table of KEGG human pathways containing dTDP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	4