Met005531: 3-Methyl-2-oxobutanoic acid
Metabolite Information
Name
3-Methyl-2-oxobutanoic acid
IUPAC Name
3-methyl-2-oxobutanoic acid
Molecular Formula
C5H8O3
Molecular Weight
116.11
Exact Mass
116.0473441
SMILES
CC(C)C(=O)C(=O)O
InChIKey
QHKABHOOEWYVLI-UHFFFAOYSA-N
InChI
InChI=1S/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Organic acids and derivatives
Class:
Keto acids and derivatives
Subclass:
Short-chain keto acids and derivatives
Crops containing this metabolite
medicago
Metabolite Spectrum Accession Label