CHEBI:143886 - 2,6-dimethylheptanoic acid

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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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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 (Bronsted 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 Waiting for Citations Type Source
20143352 PubMed citation Europe PMC
Last Modified
11 June 2019