Met001068: 2-Ketohexanoic acid
Metabolite Information
Name
2-Ketohexanoic acid
IUPAC Name
2-oxohexanoic acid
Molecular Formula
C6H10O3
Molecular Weight
130.14
Exact Mass
130.0629942
SMILES
CCCCC(=O)C(=O)O
InChIKey
XNIHZNNZJHYHLC-UHFFFAOYSA-N
InChI
InChI=1S/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
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:
Medium-chain keto acids and derivatives
Crops containing this metabolite
cassava
soybean
sweet_potato
wheat
soybean
sweet_potato
wheat
Metabolite Spectrum Accession Label