RefMet Compound Details

RefMet ID	RM0135877
MW structure	37058 (View MW Metabolite Database details)
RefMet name	Deoxyinosine
Systematic name	9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-ol
SMILES	C1[C@@H]([C@@H](CO)O[C@H]1n1cnc2c1nc[nH]c2=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	252.085856 (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	C10H12N4O4	View other entries in RefMet with this formula
InChI	InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)/t5-,6+,7+/m0/s1
InChIKey	VGONTNSXDCQUGY-RRKCRQDMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine deoxyribonucleosides
Pubchem CID	135398593
ChEBI ID	28997
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving Deoxyinosine

Rxn ID	KEGG Reaction	Enzyme
R02556	Deoxyadenosine + H2O <=> Deoxyinosine + Ammonia	Deoxyadenosine aminohydrolase
R02748	Deoxyinosine + Orthophosphate <=> Hypoxanthine + 2-Deoxy-D-ribose 1-phosphate	Deoxyinosine:orthophosphate ribosyltransferase
R12958	2'-Deoxyinosine 5'-phosphate + H2O <=> Deoxyinosine + Orthophosphate	dIMP phosphohydrolase

Table of KEGG human pathways containing Deoxyinosine

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2
hsa01232	Nucleotide metabolism	1