Terminology Service for NFDI4Health
4-methyl-2-oxopentanoic acid
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http://purl.obolibrary.org/obo/CHEBI_48430
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.
Term info
Label
4-methyl-2-oxopentanoic acid
Synonyms
- 4-methyl-2-oxopentanoic acid
Subsets
3_STAR
charge
0
formula
C6H10O3
has alternative id
CHEBI:41619, CHEBI:1891
has obo namespace
chebi_ontology
has related synonym
alpha-ketoisocaproic acid, 4-methyl-2-oxovaleric acid, Ketoleucine, 2-OXO-4-METHYLPENTANOIC ACID, 4-Methyl-2-oxopentanoate, 2-Oxoisocaproate
id
CHEBI:48430
inchi
InChI=1S/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
inchikey
BKAJNAXTPSGJCU-UHFFFAOYSA-N
mass
130.14180
monoisotopicmass
130.06299
smiles
CC(C)CC(=O)C(O)=O
Term relations
Subclass of:
- 2-oxo monocarboxylic acid
- is conjugate acid of some 4-methyl-2-oxopentanoate
- has role some algal metabolite
- has functional parent some valeric acid
- has role some human metabolite
Related from: