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CHEBI:143533 - 2,6-dimethylheptanoate

ChEBI IDCHEBI:143533
ChEBI Name2,6-dimethylheptanoate
Stars
DefinitionA methyl-branched fatty acid anion that is the conjugate base of 2,6-dimethylheptanoic acid, arising from the deprotonation of the carboxy group.
Last Modified11 June 2019
Submitterlaimo
DownloadsMolfile
FormulaC9H17O2
Net Charge-1
Average Mass157.233
Monoisotopic Mass157.12340
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)/p-1
InChIKeyMDAPKSVKYITQHQ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
2,6-dimethylheptanoate (CHEBI:143533) is a medium-chain fatty acid anion (CHEBI:59558)
2,6-dimethylheptanoate (CHEBI:143533) is a methyl-branched fatty acid anion (CHEBI:67013)
2,6-dimethylheptanoate (CHEBI:143533) is conjugate base of 2,6-dimethylheptanoic acid (CHEBI:143886)
Incoming Relation(s)
2,6-dimethylheptanoic acid (CHEBI:143886) is conjugate acid of 2,6-dimethylheptanoate (CHEBI:143533)
IUPAC Name 
2,6-dimethylheptanoate
Synonym  Source
2,6-dimethylheptanoic acid(1−)ChEBI
UniProt Name  Source
2,6-dimethylheptanoateUniProt
Citations