RefMet Compound Details

MW structure1522 (View MW Metabolite Database details)
RefMet name2-Hydroxyisobutyric acid
Alternative nameFA 3:1;2OH,2Me
Systematic name2-hydroxy-2-methyl-propanoic acid
SMILESCC(C)(C(=O)O)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionFA 4:0;O View other entries in RefMet with this sum composition
Exact mass104.047345 (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
FormulaC4H8O3View other entries in RefMet with this formula
InChIKeyBWLBGMIXKSTLSX-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Pubchem CID11671
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)