RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0032432
RefMet name	dTTP
Systematic name	2'-Deoxythymidine triphosphate
Synonyms	PubChem Synonyms
Exact mass	481.989272 (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	C10H17N2O14P3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37738 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H, 19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKey	NHVNXKFIZYSCEB-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)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 dNTP
Distribution of dTTP 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 dTTP
External Links
Pubchem CID	64968
ChEBI ID	18077
KEGG ID	C00459
HMDB ID	HMDB0001342
Chemspider ID	58493
MetaCyc ID	TTP
Spectral data for dTTP standards
NP-MRD ID(NMR)	View NMR spectra
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 dTTP

Rxn ID	KEGG Reaction	Enzyme
R02093	ATP + dTDP <=> ADP + dTTP	ATP:dTDP phosphotransferase
R02095	dTTP + H2O <=> dTDP + Orthophosphate	dTTP nucleotidohydrolase
R11323	dTTP + H2O <=> dTMP + Diphosphate	dTTP diphosphohydrolase

Table of KEGG human pathways containing dTTP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	3