Met010031: dimethyl ethyl acetic acid
Metabolite Information
Name
dimethyl ethyl acetic acid
IUPAC Name
2,2-dimethylbutanoic acid
Molecular Formula
C6H12O2
Molecular Weight
116.16
Exact Mass
116.0837296
SMILES
CCC(C)(C)C(=O)O
InChIKey
VUAXHMVRKOTJKP-UHFFFAOYSA-N
InChI
InChI=1S/C6H12O2/c1-4-6(2,3)5(7)8/h4H2,1-3H3,(H,7,8)
Other Databases Link
Structure
2D Structure
3D Structure
Classification
(data sourced from ClassyFire)
Kingdom:
Organic compounds
Superclass:
Lipids and lipid-like molecules
Class:
Fatty Acyls
Subclass:
Fatty acids and conjugates
Crops containing this metabolite
rice
soybean
soybean
Metabolite Spectrum Accession Label