RefMet Compound Details

MW structure1878 (View MW Metabolite Database details)
RefMet name3-Aminoisobutanoic acid
Alternative name3-Amino-isobutanoic acid
Systematic name3-amino-3-methyl-propionic acid
SMILESCC(CN)C(=O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass103.063329 (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
FormulaC4H9NO2View other entries in RefMet with this formula
InChIKeyQCHPKSFMDHPSNR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassAmino FA
Pubchem CID64956
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)