RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135932
RefMet name	UDP
Systematic name	[({[(2R,3S,4R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid
Synonyms	PubChem Synonyms
Exact mass	404.002204 (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	C9H14N2O12P2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37189 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10, 12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKey	XCCTYIAWTASOJW-XVFCMESISA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cn([C@H]2[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O)O2)O)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 rNDP
Distribution of UDP 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 UDP
External Links
Pubchem CID	6031
ChEBI ID	17659
KEGG ID	C00015
HMDB ID	HMDB0000295
Chemspider ID	5809
MetaCyc ID	UDP
Spectral data for UDP standards
BMRB ID(NMR)	View NMR spectra
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 UDP

Rxn ID	KEGG Reaction	Enzyme
R00155	UDP + H2O <=> UMP + Orthophosphate	UDP phosphohydrolase
R00156	ATP + UDP <=> ADP + UTP	ATP:UDP phosphotransferase
R00158	ATP + UMP <=> ADP + UDP	ATP:UMP phosphotransferase
R00159	UTP + H2O <=> UDP + Orthophosphate	UTP phosphohydrolase
R02018	dUDP + Thioredoxin disulfide + H2O <=> Thioredoxin + UDP	2'-Deoxyuridine 5'-diphosphate:oxidized-thioredoxin 2'-oxidoreductase

Table of KEGG human pathways containing UDP

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	5