RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0160856
RefMet name	Uric acid
Systematic name	2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
Synonyms	PubChem Synonyms
Exact mass	168.028341 (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	C5H4N4O3	View other entries in RefMet with this formula
Molecular descriptors
Molfile	37183 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
InChIKey	LEHOTFFKMJEONL-UHFFFAOYSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	c12c([nH]c(=O)[nH]2)[nH]c(=O)[nH]c1=O Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Xanthines
Distribution of Uric acid 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 Uric acid
External Links
Pubchem CID	1175
ChEBI ID	17775
KEGG ID	C00366
HMDB ID	HMDB0000289
Chemspider ID	1142
MetaCyc ID	URATE
EPA CompTox	DTXCID60197182
Spectral data for Uric acid 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 Uric acid

Rxn ID	KEGG Reaction	Enzyme
R02103	Xanthine + NAD+ + H2O <=> Urate + NADH + H+	xanthine:NAD+ oxidoreductase
R02107	Xanthine + H2O + Oxygen <=> Urate + Hydrogen peroxide	Xanthine:oxygen oxidoreductase

Table of KEGG human pathways containing Uric acid

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	2