RefMet Compound Details

RefMet ID	RM0138920
MW structure	37024 (View MW Metabolite Database details)
RefMet name	Deoxyuridine
Systematic name	1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
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)
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
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
Super Class	Nucleic acids
Main Class	Pyrimidines
Sub Class	Pyrimidine deoxyribonucleosides
Pubchem CID	13712
ChEBI ID	16450
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