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> Main
CHEBI:143886 - 2,6-dimethylheptanoic acid
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ChEBI Ontology
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ChEBI Name
2,6-dimethylheptanoic acid
ChEBI ID
CHEBI:143886
Definition
A methyl-branched chain fatty acid that is heptanoic acid substituted by a methyl group at positions 2 and 6.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C9H18O2
Net Charge
0
Average Mass
158.241
Monoisotopic Mass
158.13068
InChI
InChI=1S/C9H18O2/c1-7(2)5-4-6-8(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKey
MDAPKSVKYITQHQ-UHFFFAOYSA-N
SMILES
OC(=O)C(CCCC(C)C)C
Metabolite of Species
Details
Nocardia cyriacigeorgica
(NCBI:txid135487)
See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
Biological Role
(s):
bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,6-dimethylheptanoic acid (
CHEBI:143886
)
has role
bacterial xenobiotic metabolite (
CHEBI:76976
)
2,6-dimethylheptanoic acid (
CHEBI:143886
)
is a
medium-chain fatty acid (
CHEBI:59554
)
2,6-dimethylheptanoic acid (
CHEBI:143886
)
is a
methyl-branched fatty acid (
CHEBI:62499
)
2,6-dimethylheptanoic acid (
CHEBI:143886
)
is conjugate acid of
2,6-dimethylheptanoate (
CHEBI:143533
)
Incoming
2,6-dimethylheptanoate (
CHEBI:143533
)
is conjugate base of
2,6-dimethylheptanoic acid (
CHEBI:143886
)
IUPAC Name
2,6-dimethylheptanoic acid
Registry Number
Type
Source
60148-94-9
CAS Registry Number
ChemIDplus
Citation
Type
Source
20143352
PubMed citation
Europe PMC
Last Modified
11 June 2019