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CHEBI:78700 - 9-oxononanoic acid

ChEBI IDCHEBI:78700
ChEBI Name9-oxononanoic acid
Stars
DefinitionA medium-chain oxo-fatty acid that is the 9-oxo derivative of nonanoic acid.
Last Modified13 July 2017
SubmitterSteve
DownloadsMolfile
FormulaC9H16O3
Net Charge0
Average Mass172.224
Monoisotopic Mass172.10994
SMILES[H]C(=O)CCCCCCCC(=O)O
InChIInChI=1S/C9H16O3/c10-8-6-4-2-1-3-5-7-9(11)12/h8H,1-7H2,(H,11,12)
InChIKeyWLGDDELKYAWBBL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor  An EC 6.4.1.* (C‒C bond-forming ligase) inhibitor that interferes with the action of acetyl-CoA carboxylase (EC 6.4.1.2).
ChEBI Ontology
Outgoing Relation(s)
9-oxononanoic acid (CHEBI:78700) has functional parent nonanoic acid (CHEBI:29019)
9-oxononanoic acid (CHEBI:78700) has role EC 6.4.1.2 (acetyl-CoA carboxylase) inhibitor (CHEBI:70722)
9-oxononanoic acid (CHEBI:78700) is a aldehydic acid (CHEBI:26643)
9-oxononanoic acid (CHEBI:78700) is a medium-chain fatty acid (CHEBI:59554)
9-oxononanoic acid (CHEBI:78700) is a ω-oxo fatty acid (CHEBI:76328)
9-oxononanoic acid (CHEBI:78700) is conjugate acid of 9-oxononanoate (CHEBI:77812)
Incoming Relation(s)
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine (CHEBI:61042) has functional parent 9-oxononanoic acid (CHEBI:78700)
9-oxononanoate (CHEBI:77812) is conjugate base of 9-oxononanoic acid (CHEBI:78700)
IUPAC Name 
9-oxononanoic acid
Synonyms  Source
9-ketononanoic acidChEBI
8-formyloctanoic acidChEBI
Manual XrefsDatabases
C16322KEGG COMPOUND
LMFA01060160LIPID MAPS
CPD-8686MetaCyc
Registry NumbersSources
Reaxys:1762686Reaxys
CAS:2553-17-5KEGG COMPOUND
CAS:2553-17-5ChemIDplus
Citations