RefMet Compound Details

MW structure	37189 (View MW Metabolite Database details)
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
SMILES	O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
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
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
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine rNDP
Pubchem CID	6031
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
R00159	UTP + H2O <=> UDP + Orthophosphate	UTP phosphohydrolase
R00156	ATP + UDP <=> ADP + UTP	ATP:UDP phosphotransferase
R00158	ATP + UMP <=> ADP + UDP	ATP:UMP phosphotransferase
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