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CHEBI:143886 - 2,6-dimethylheptanoic acid

ChEBI IDCHEBI:143886
ChEBI Name2,6-dimethylheptanoic acid
Stars
DefinitionA methyl-branched chain fatty acid that is heptanoic acid substituted by a methyl group at positions 2 and 6.
Last Modified11 June 2019
SubmitterAdnan
DownloadsMolfile
FormulaC9H18O2
Net Charge0
Average Mass158.241
Monoisotopic Mass158.13068
SMILESCC(C)CCCC(C)C(=O)O
InChIInChI=1S/C9H18O2/c1-7(2)5-4-6-8(3)9(10)11/h7-8H,4-6H2,1-3H3,(H,10,11)
InChIKeyMDAPKSVKYITQHQ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nocardia cyriacigeorgica (ncbitaxon:135487) - PubMed (20143352)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
2,6-dimethylheptanoate (CHEBI:143533) is conjugate base of 2,6-dimethylheptanoic acid (CHEBI:143886)
IUPAC Name 
2,6-dimethylheptanoic acid
Registry NumbersSources
CAS:60148-94-9ChemIDplus
Citations