Ketoleucine


Description:
4-methyl-2-oxopentanoic acid is a 2-oxo monocarboxylic acid that is pentanoic acid (valeric acid) substituted with a keto group at C-2 and a methyl group at C-4. A metabolite that has been found to accumulate in maple syrup urine disease. It has a role as a human metabolite and an algal metabolite. It derives from a valeric acid. It is a conjugate acid of a 4-methyl-2-oxopentanoate. Experimental spectrum in Natural Products Magnetic Resonance Database: [NP0001215](https://np-mrd.org/natural_products/583/submission_spectrum_view?spectrum_id=366&spectrum_type=real)

Property Value
Metabolite name Ketoleucine
AMDB ID 14
PubChem CID 70
HMDB ID HMDB0000695
KEGG ID C00233
ChEBI ID 48430
Molecular formula C6H10O3
Molecular weight 130.14
Monoisotopic mass 130.06299418
IUPAC name 4-methyl-2-oxopentanoic acid

NMR:

Functional group Multiplicity Shift Number of protons
(CH3)2 doublet 0.926 6

Synonyms:

Ketoleucine, 4-Methyl-2-oxopentanoic acid, 2-oxoisocaproate


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