RefMet Compound Details

MW structure47363 (View MW Metabolite Database details)
RefMet name1-Aminocyclopropanecarboxylic acid
Systematic name1-aminocyclopropane-1-carboxylic acid
SMILESNC1(C(=O)O)CC1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass101.047679 (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
FormulaC4H7NO2View other entries in RefMet with this formula
InChIKeyPAJPWUMXBYXFCZ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganic acids
Main ClassAmino acids and peptides
Sub ClassAmino acids
Pubchem CID535
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)