4-Methyl-2-oxovaleric acid

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Systematic / IUPAC Name: 4-Methyl-2-oxopentanoic acid

ID: Reference13819

Other Names: Ketoleucine;
AA-3802

Formula: C6H10O3

Class: Endogenous Metabolites

Spectral Data

4-Methyl-2-oxovaleric acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 135
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 3/11/2026 4:55:31 PM
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Identificators

InChI InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChI Key BKAJNAXTPSGJCU-UHFFFAOYSA-N
Canonical SMILES CC(C)CC(=O)C(=O)O
CAS
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Other Names Ketoleucine;
AA-3802

In Other Databases

ChEBI CHEBI:48430
DrugBank DB03229; DB03229
Wikipedia Alpha-Ketoisocaproic acid
HMDb HMDB0000695; HMDB0000695; HMDB0000695; HMDB0000695; HMDB0000695
KEGG C00233
ChemSpider 69
PubChem 70; 70
ChEMBL CHEMBL445647