RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138933
RefMet name	dUDP
Systematic name	[({[(2R,3S,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	388.007289 (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	C9H14N2O11P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37540 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13, 14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKey	QHWZTVCCBMIIKE-SHYZEUOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cn([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 dUDP 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 dUDP
External Links
Pubchem CID	145729
ChEBI ID	28850
KEGG ID	C01346
HMDB ID	HMDB0001000
Chemspider ID	128553
MetaCyc ID	DUDP
Spectral data for dUDP 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 dUDP

Rxn ID	KEGG Reaction	Enzyme
R02018	dUDP + Thioredoxin disulfide + H2O <=> Thioredoxin + UDP	2'-Deoxyuridine 5'-diphosphate:oxidized-thioredoxin 2'-oxidoreductase
R02098	ATP + dUMP <=> ADP + dUDP	ATP:dUMP phosphotransferase
R02330	dUTP + H2O <=> dUDP + Orthophosphate	dUTP nucleotidohydrolase
R02331	ATP + dUDP <=> ADP + dUTP	ATP:dUDP phosphotransferase

Table of KEGG human pathways containing dUDP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	3
hsa01100	Metabolic pathways	1