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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:29024 - 4-methyl-3-oxopentanoic acid
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ChEBI Name
4-methyl-3-oxopentanoic acid
ChEBI ID
CHEBI:29024
Definition
A branched-chain fatty acid that is 4-methylpentanoic acid carrying an oxo substituent at C-3.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:1621, CHEBI:18673
Supplier Information
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Formula
C6H10O3
Net Charge
0
Average Mass
130.14180
Monoisotopic Mass
130.06299
InChI
InChI=1S/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
InChIKey
ZXLSKTZECNUVIS-UHFFFAOYSA-N
SMILES
CC(C)C(=O)CC(O)=O
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
4-methyl-3-oxopentanoic acid (
CHEBI:29024
)
has functional parent
valeric acid (
CHEBI:17418
)
4-methyl-3-oxopentanoic acid (
CHEBI:29024
)
is a
3-oxo fatty acid (
CHEBI:134416
)
4-methyl-3-oxopentanoic acid (
CHEBI:29024
)
is a
branched-chain fatty acid (
CHEBI:35819
)
4-methyl-3-oxopentanoic acid (
CHEBI:29024
)
is conjugate acid of
4-methyl-3-oxopentanoate (
CHEBI:62222
)
Incoming
4-methyl-3-oxopentanoate (
CHEBI:62222
)
is conjugate base of
4-methyl-3-oxopentanoic acid (
CHEBI:29024
)
IUPAC Name
4-methyl-3-oxopentanoic acid
Synonyms
Sources
3-Oxo-4-methylpentanoate
KEGG COMPOUND
3-Oxo-4-methylpentanoic acid
KEGG COMPOUND
3-Oxo-4-methylpentanoic acid
KEGG COMPOUND
beta-Ketoisocaproate
KEGG COMPOUND
beta-Ketoisocaproic acid
KEGG COMPOUND
β-oxo-4-methylcaproic aicd
ChEBI
β-oxo-4-methylpentanoic aicd
ChEBI
Manual Xrefs
Databases
C03467
KEGG COMPOUND
LMFA01020276
LIPID MAPS
View more database links
Last Modified
06 February 2017