RefMet Compound Details

MW structure1282 (View MW Metabolite Database details)
RefMet name3-Hydroxybutyric acid
Systematic name3-hydroxy-butanoic acid
SMILESCC(O)CC(=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
InChIInChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKeyWHBMMWSBFZVSSR-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Pubchem CID441
Annotation level2   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving 3-Hydroxybutyric acid

Rxn IDKEGG ReactionEnzyme
R01361 (R)-3-Hydroxybutanoate + NAD+ <=> Acetoacetate + NADH + H+(R)-3-Hydroxybutanoate:NAD+ oxidoreductase

Table of KEGG human pathways containing 3-Hydroxybutyric acid

Pathway IDHuman Pathway# of reactions
hsa00072 Synthesis and degradation of ketone bodies 1
hsa00650 Butanoate metabolism 1
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