RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0136769
RefMet name	dTDP-glucose
Systematic name	thymidine 5'-[3-(alpha-D-glucopyranosyl) dihydrogen diphosphate]
Synonyms	PubChem Synonyms
Exact mass	564.075764 (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	C16H26N2O16P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	50227 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15 /h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1
InChIKey	YSYKRGRSMLTJNL-URARBOGNSA-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[C@@H]3[C@@H]([C@H]([C@@H]([C@@H](CO)O3)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 ribonucleosides
Distribution of dTDP-glucose 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-glucose
External Links
Pubchem CID	443210
ChEBI ID	15700
KEGG ID	C00842
HMDB ID	HMDB0001328
MetaCyc ID	DTDP-D-GLUCOSE
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-glucose

Rxn ID	KEGG Reaction	Enzyme
R06513	dTDP-glucose <=> dTDP-4-oxo-6-deoxy-D-glucose + H2O	dTDPglucose 4,6-hydro-lyase

Table of KEGG human pathways containing dTDP-glucose

Pathway ID	Human Pathway	# of reactions
hsa01100	Metabolic pathways	1
hsa01250	Biosynthesis of nucleotide sugars	1