CHEBI:176689 - 2-oxooctanoate

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 2-oxooctanoate ChEBI ID CHEBI:176689 Definition A 2-oxo monocarboxylic acid anion that is the conjugate base of 2-oxooctanoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3. Stars This entity has been manually annotated by the ChEBI Team. Submitter Anne Morgat Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C8H13O3 Net Charge -1 Average Mass 157.190 Monoisotopic Mass 157.08702 InChI InChI=1S/C8H14O3/c1-2-3-4-5-6-7(9)8(10)11/h2-6H2,1H3,(H,10,11)/p-1 InChIKey GPPUPQFYDYLTIY-UHFFFAOYSA-M SMILES CCCCCCC(=O)C([O-])=O ChEBI Ontology Outgoing 2-oxooctanoate (CHEBI:176689) has functional parent octanoate (CHEBI:25646) 2-oxooctanoate (CHEBI:176689) is a 2-oxo monocarboxylic acid anion (CHEBI:35179) 2-oxooctanoate (CHEBI:176689) is conjugate base of 2-oxooctanoic acid (CHEBI:173668) Incoming 2-oxooctanoic acid (CHEBI:173668) is conjugate acid of 2-oxooctanoate (CHEBI:176689) IUPAC Name 2-oxooctanoate Synonyms Sources 2-keto-n-caprylate ChEBI 2-oxo-octanoate ChEBI 2-oxocaprylate ChEBI 2-oxooctanoate UniProt α-ketooctanoate MetaCyc Manual Xref Database CPD-17975 MetaCyc View more database links Citations Types Sources 10777549 PubMed citation SUBMITTER 10913158 PubMed citation Europe PMC 6989358 PubMed citation Europe PMC Last Modified 05 July 2021