RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0136147
RefMet name9-Methyluric acid
Systematic name9-methyl-2,3,6,7,8,9-hexahydro-1H-purine-2,6,8-trione
SynonymsPubChem Synonyms
Exact mass182.043991 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC6H6N4O3View other entries in RefMet with this formula
Molecular descriptors
Molfile37958 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C6H6N4O3/c1-10-3-2(7-6(10)13)4(11)9-5(12)8-3/h1H3,(H,7,13)(H2,8,9,11,12)
InChIKeyXJEJWDFDVPDMAS-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESCn1c2c(c(=O)[nH]c(=O)[nH]2)[nH]c1=O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassNucleic acids
Main ClassPurines
Sub ClassXanthines
Distribution of 9-Methyluric acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 9-Methyluric acid
External Links
Pubchem CID108714
ChEBI ID192169
HMDB IDHMDB0001973
Chemspider ID97755
Spectral data for 9-Methyluric acid standards
NP-MRD ID(NMR)View NMR spectra
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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