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> Main
CHEBI:28654 - 3-methyl-2-oxovalerate
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ChEBI Name
3-methyl-2-oxovalerate
ChEBI ID
CHEBI:28654
Definition
A 2-oxo monocarboxylic acid anion that is the conjugate base of 3-methyl-2-oxovaleric acid, arising from deprotonation of the carboxy group; major species at pH 7.3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1585, CHEBI:20116
Supplier Information
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Formula
C6H9O3
Net Charge
-1
Average Mass
129.13390
Monoisotopic Mass
129.05572
InChI
InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/p-1
InChIKey
JVQYSWDUAOAHFM-UHFFFAOYSA-M
SMILES
CCC(C)C(=O)C([O-])=O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
DOI
Roles Classification
Biological Role
(s):
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (
Homo sapiens
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
3-methyl-2-oxovalerate (
CHEBI:28654
)
has functional parent
valerate (
CHEBI:31011
)
3-methyl-2-oxovalerate (
CHEBI:28654
)
has role
human metabolite (
CHEBI:77746
)
3-methyl-2-oxovalerate (
CHEBI:28654
)
is a
2-oxo monocarboxylic acid anion (
CHEBI:35179
)
3-methyl-2-oxovalerate (
CHEBI:28654
)
is a
branched-chain keto acid anion (
CHEBI:191201
)
3-methyl-2-oxovalerate (
CHEBI:28654
)
is conjugate base of
3-methyl-2-oxovaleric acid (
CHEBI:35932
)
Incoming
(
R
)-3-methyl-2-oxovalerate (
CHEBI:228255
)
is a
3-methyl-2-oxovalerate (
CHEBI:28654
)
(
S
)-3-methyl-2-oxovalerate (
CHEBI:35146
)
is a
3-methyl-2-oxovalerate (
CHEBI:28654
)
3-methyl-2-oxovaleric acid (
CHEBI:35932
)
is conjugate acid of
3-methyl-2-oxovalerate (
CHEBI:28654
)
IUPAC Name
3-methyl-2-oxopentanoate
Synonyms
Sources
2-keto-3-methylvalerate
HMDB
2-Oxo-3-methylpentanoate
HMDB
2-Oxo-3-methylvalerate
KEGG COMPOUND
3-Methyl-2-oxopentanoate
HMDB
3-Methyl-2-oxovalerate
HMDB
α-keto-β-methylvalerate
ChEBI
α-oxo-β-methylvalerate
ChEBI
Manual Xrefs
Databases
C03465
KEGG COMPOUND
HMDB0000491
HMDB
View more database links
Registry Numbers
Types
Sources
3904281
Reaxys Registry Number
Reaxys
3904281
Beilstein Registry Number
Beilstein
Last Modified
22 April 2022