RefMet Compound Details

MW structure38217 (View MW Metabolite Database details)
RefMet name5-Methylcytosine
Systematic name6-amino-5-methyl-1,2-dihydropyrimidin-2-one
SMILESCc1c[nH]c(=O)nc1N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass125.058912 (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
FormulaC5H7N3OView other entries in RefMet with this formula
InChIInChI=1S/C5H7N3O/c1-3-2-7-5(9)8-4(3)6/h2H,1H3,(H3,6,7,8,9)
InChIKeyLRSASMSXMSNRBT-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassNucleic acids
Main ClassPyrimidines
Sub ClassPyrimidones
Pubchem CID65040
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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