RefMet Compound Details

MW structure87135 (View MW Metabolite Database details)
RefMet nameDMGV
Systematic name2-Oxo-5-(3,3-dimethylguanidine-1-yl)pentanoic acid
SMILESCN(C)/C(=N/CCCC(=O)C(=O)O)/N   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass201.111342 (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
FormulaC8H15N3O3View other entries in RefMet with this formula
InChIKeyGLWRPXRMUUZNMD-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassKeto acids
Sub ClassShort-chain keto acids
Pubchem CID101535539
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)