RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0153056
RefMet name3-Hydroxybutyric acid
Systematic name3-hydroxy-butanoic acid
SynonymsPubChem Synonyms
Sum CompositionFA 4:0;O View other entries in RefMet with this sum composition
Exact mass104.047345 (neutral)
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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
Molecular descriptors
Molfile1282 (Download molfile/View MW Metabolite Database details)
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
SMILESCC(CC(=O)O)O
Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super ClassFatty Acyls
Main ClassFatty acids
Sub ClassHydroxy FA
Distribution of 3-Hydroxybutyric acid in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
PlatformPlatform (MS/NMR) used for detection
ChromatographyChromatography methods used for detection
StudiesNMDR Studies reporting 3-Hydroxybutyric acid
External Links
Pubchem CID441
LIPID MAPSLMFA01050005
ChEBI ID20067
KEGG IDC01089
HMDB IDHMDB0000357
Chemspider ID428
MetaCyc IDCPD-335
Spectral data for 3-Hydroxybutyric acid standards
BMRB ID(NMR)View NMR spectra
NP-MRD ID(NMR)View NMR spectra
MassBank(EU)View MS spectra
Structural annotation level
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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