RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0135895
RefMet name	Hypoxanthine
Systematic name	7H-purin-6-ol
Synonyms	PubChem Synonyms
Exact mass	136.038511 (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	C5H4N4O	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37106 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey	FDGQSTZJBFJUBT-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c1[nH]c2c(n1)nc[nH]c2=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Hypoxanthines
Distribution of Hypoxanthine 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 Hypoxanthine
External Links
Pubchem CID	135398638
ChEBI ID	17368
KEGG ID	C00262
HMDB ID	HMDB0000157
Chemspider ID	768
MetaCyc ID	HYPOXANTHINE
EPA CompTox	DTXCID6025983
Spectral data for Hypoxanthine 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 Hypoxanthine

Rxn ID	KEGG Reaction	Enzyme
R01128	IMP + H2O <=> Hypoxanthine + D-Ribose 5-phosphate	5'-Inosinate phosphoribohydrolase
R01132	IMP + Diphosphate <=> Hypoxanthine + 5-Phospho-alpha-D-ribose 1-diphosphate	IMP:diphosphate phospho-D-ribosyltransferase
R01768	Hypoxanthine + NAD+ + H2O <=> Xanthine + NADH + H+	hypoxanthine:NAD+ oxidoreductase
R01769	Hypoxanthine + Oxygen + H2O <=> Xanthine + Hydrogen peroxide	Hypoxanthine:oxygen oxidoreductase
R01770	Inosine + H2O <=> Hypoxanthine + D-Ribose	Inosine ribohydrolase
R01863	Inosine + Orthophosphate <=> Hypoxanthine + alpha-D-Ribose 1-phosphate	inosine:phosphate alpha-D-ribosyltransferase
R02748	Deoxyinosine + Orthophosphate <=> Hypoxanthine + 2-Deoxy-D-ribose 1-phosphate	Deoxyinosine:orthophosphate ribosyltransferase

Table of KEGG human pathways containing Hypoxanthine

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	5
hsa01100	Metabolic pathways	1