RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0138920
RefMet name	Deoxyuridine
Systematic name	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
Synonyms	PubChem Synonyms
Exact mass	228.074623 (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	C9H12N2O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37024 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
InChIKey	MXHRCPNRJAMMIM-SHYZEUOFSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1cn([C@H]2C[C@@H]([C@@H](CO)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 deoxyribonucleosides
Distribution of Deoxyuridine 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 Deoxyuridine
External Links
Pubchem CID	13712
ChEBI ID	16450
KEGG ID	C00526
HMDB ID	HMDB0000012
Chemspider ID	13118
MetaCyc ID	DEOXYURIDINE
Spectral data for Deoxyuridine 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 Deoxyuridine

Rxn ID	KEGG Reaction	Enzyme
R02099	ATP + Deoxyuridine <=> ADP + dUMP	ATP:deoxyuridine 5'-phosphotransferase
R02102	dUMP + H2O <=> Deoxyuridine + Orthophosphate	2'-deoxyuridine 5'-monophosphate phosphohydrolase
R02484	Deoxyuridine + Orthophosphate <=> Uracil + 2-Deoxy-D-ribose 1-phosphate	deoxyuridine:orthophosphate 2-deoxy-D-ribosyltransferase
R02485	Deoxycytidine + H2O <=> Deoxyuridine + Ammonia	deoxycytidine aminohydrolase

Table of KEGG human pathways containing Deoxyuridine

Pathway ID	Human Pathway	# of reactions
hsa00240	Pyrimidine metabolism	4