2-Ketoisovaleric acid


Description:
3-methyl-2-oxobutanoic acid is a 2-oxo monocarboxylic acid that is the 2-oxo derivative of isovaleric acid. It has a role as a human metabolite and a Saccharomyces cerevisiae metabolite. It derives from a butyric acid. It is a conjugate acid of a 3-methyl-2-oxobutanoate. It is a tautomer of a 2-hydroxy-3-methyl-2-butenoic acid. Experimental spectrum in Natural Products Magnetic Resonance Database: [NP0000087](https://np-mrd.org/natural_products/422/submission_spectrum_view?spectrum_id=254&spectrum_type=real)

Property Value
Metabolite name 2-Ketoisovaleric acid
AMDB ID 7
PubChem CID 49
HMDB ID HMDB0000019
KEGG ID C00141
ChEBI ID 16530
Molecular formula C5H8O3
Molecular weight 116.11
Monoisotopic mass 116.047344117
IUPAC name 3-methyl-2-oxobutanoic acid

NMR:

Functional group Multiplicity Shift Number of protons
(CH3)2 doublet 1.112 6

Synonyms:

2-ketoisovalerate, 2-ketoisovaleric acid, alpha-Ketoisovaleric acid, 3-Methyl-2-oxobutanoic acid, 2-Ketovaline


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