Met000022: DL-beta-Hydroxybutyric acid
Metabolite Information
Name
DL-beta-Hydroxybutyric acid
IUPAC Name
3-hydroxybutanoic acid
Molecular Formula
C4H8O3
Molecular Weight
104.1
Exact Mass
104.0473441
SMILES
CC(CC(=O)O)O
InChIKey
WHBMMWSBFZVSSR-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Hydroxy acids and derivatives
Subclass:
Beta hydroxy acids and derivatives
Crops containing this metabolite
rice
Metabolite Spectrum Accession Label