RefMet Compound Details

MW structure38282 (View MW Metabolite Database details)
RefMet name1-Methylguanine
Systematic name2-amino-1-methyl-6,7-dihydro-1H-purin-6-one
SMILESCn1c(=O)c2c([nH]cn2)nc1N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass165.065060 (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
FormulaC6H7N5OView other entries in RefMet with this formula
InChIKeyRFLVMTUMFYRZCB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPurines
Sub ClassHypoxanthines
Pubchem CID70315
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)