RefMet Compound Details

MW structure1877 (View MW Metabolite Database details)
RefMet nameAminoisobutyric acid
Systematic name2-amino-2-methyl-propanoic acid
SMILESCC(C)(N)C(O)=O
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
InChIInChI=1S/C4H9NO2/c1-4(2,5)3(6)7/h5H2,1-2H3,(H,6,7)
InChIKeyFUOOLUPWFVMBKG-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassAmino FA
Pubchem CID6119
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
Human quantitationView measurements in targeted assays on human samples
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