RefMet Compound Details

MW structure38560 (View MW Metabolite Database details)
RefMet nameProline betaine
Systematic name(2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylate
SMILESC[N+]1(C)CCC[C@H]1C(=O)[O-]   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass143.094629 (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
FormulaC7H13NO2View other entries in RefMet with this formula
InChIKeyCMUNUTVVOOHQPW-LURJTMIESA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID115244
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)