RefMet Compound Details

MW structure71673 (View MW Metabolite Database details)
RefMet nameStachydrine
Systematic name(2R)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid
SMILESC[N+]1(C)CCC[C@@H]1C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass144.102454 (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
FormulaC7H14NO2View other entries in RefMet with this formula
InChIKeyCMUNUTVVOOHQPW-ZCFIWIBFSA-OView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID7016563
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)