RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135908
RefMet name	Inosine
Systematic name	9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
Synonyms	PubChem Synonyms
Exact mass	268.080771 (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	C10H12N4O5	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37130 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s 1
InChIKey	UGQMRVRMYYASKQ-KQYNXXCUSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C([C@@H]1[C@H]([C@H]([C@H](n2cnc3c2ncnc3O)O1)O)O)O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine ribonucleosides
Distribution of Inosine 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 Inosine
External Links
Pubchem CID	135398641
ChEBI ID	17596
KEGG ID	C00294
HMDB ID	HMDB0000195
Chemspider ID	5799
MetaCyc ID	INOSINE
EPA CompTox	DTXCID10210012
Spectral data for Inosine 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 Inosine

Rxn ID	KEGG Reaction	Enzyme
R01126	IMP + H2O <=> Inosine + Orthophosphate	inosine 5'-monophosphate phosphohydrolase
R01131	ATP + Inosine <=> ADP + IMP	ATP:inosine 5'-phosphotransferase
R01560	Adenosine + H2O <=> Inosine + Ammonia	Adenosine aminohydrolase
R01770	Inosine + H2O <=> Hypoxanthine + D-Ribose	Inosine ribohydrolase
R01863	Inosine + Orthophosphate <=> Hypoxanthine + alpha-D-Ribose 1-phosphate	inosine:phosphate alpha-D-ribosyltransferase

Table of KEGG human pathways containing Inosine

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	3
hsa01100	Metabolic pathways	2