CHEBI:44680 - 3-oxooctanoic acid

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ChEBI Name 3-oxooctanoic acid ChEBI ID CHEBI:44680 Definition A derivative of octanoic acid carrying a β-oxo group; a possible metabolite of 2-octynoic acid. Stars This entity has been manually annotated by the ChEBI Team. Secondary ChEBI IDs CHEBI:37106, CHEBI:44675 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 C8H14O3 Net Charge 0 Average Mass 158.19496 Monoisotopic Mass 158.09429 InChI InChI=1S/C8H14O3/c1-2-3-4-5-7(9)6-8(10)11/h2-6H2,1H3,(H,10,11) InChIKey FWNRRWJFOZIGQZ-UHFFFAOYSA-N SMILES CCCCCC(=O)CC(O)=O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 3-oxooctanoic acid (CHEBI:44680) has functional parent octanoic acid (CHEBI:28837) 3-oxooctanoic acid (CHEBI:44680) is a 3-oxo fatty acid (CHEBI:134416) Incoming 3-oxooctanoyl-CoA (CHEBI:28264) has functional parent 3-oxooctanoic acid (CHEBI:44680) IUPAC Name 3-oxooctanoic acid Synonyms Sources 3-keto-n-caprylic acid LIPID MAPS 3-Ketooctanoic acid ChemIDplus β-ketocaprylic acid ChEBI β-ketooctanoic acid ChEBI β-oxocaprylic acid ChEBI β-oxooctanoic acid ChEBI Manual Xref Database LMFA01060017 LIPID MAPS View more database links Registry Numbers Types Sources 13283-91-5 CAS Registry Number ChemIDplus 1761409 Beilstein Registry Number Beilstein Citation Type Source 2765701 PubMed citation Europe PMC Last Modified 06 February 2017