3-Methyl-2-oxovaleric acid


Description:
3-methyl-2-oxovaleric acid is a 2-oxo monocarboxylic acid that is valeric acid carrying oxo- and methyl substituents at C-2 and C-3, respectively. An alpha-keto acid analogue and metabolite of isoleucine in man, animals and bacteria. Used as a clinical marker for maple syrup urine disease (MSUD). It has a role as a human metabolite. It derives from a valeric acid. It is a conjugate acid of a 3-methyl-2-oxovalerate. **NMR note.** often overlap with [Butyric acid](../171/) Experimental spectrum in Natural Products Magnetic Resonance Database: [NP0000199](https://np-mrd.org/spectra/nmr_one_d/1392)

Property Value
Metabolite name 3-Methyl-2-oxovaleric acid
AMDB ID 80
PubChem CID 47
HMDB ID HMDB0000491
KEGG ID C00671
ChEBI ID 15614
Molecular formula C6H10O3
Molecular weight 130.14
Monoisotopic mass 130.06299418
IUPAC name 3-methyl-2-oxopentanoic acid

NMR:

Functional group Multiplicity Shift Number of protons
CH3 triplet 0.881 3

Synonyms:

3-Methyl-2-oxovaleric acid, 3-Methyl-2-oxo-valerate, 3-methyl-2-oxovalerate


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