RefMet Compound Details

MW structure37310 (View MW Metabolite Database details)
RefMet nameCreatinine
Systematic name2-imino-1-methylimidazolidin-4-one
SMILESCN1CC(=O)NC1=N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass113.058912 (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
FormulaC4H7N3OView other entries in RefMet with this formula
InChIKeyDDRJAANPRJIHGJ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassAzoles
Sub ClassImidazolines
Pubchem CID137319715
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)