3-oxoadipic acid (CHEBI:37440)

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ChEBI Name	3-oxoadipic acid

ChEBI ID	CHEBI:37440

Definition	An oxo dicarboxylic acid consisting of adipic acid having a single oxo group at the 3-position.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C6H8O5

Net Charge

Average Mass

160.12472

Monoisotopic Mass

160.03717

InChI

InChI=1S/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)

InChIKey

RTGHRDFWYQHVFW-UHFFFAOYSA-N

SMILES

OC(=O)CCC(=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 )

Biological Role(s):	bacterial xenobiotic metabolite Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	3-oxoadipic acid (CHEBI:37440) has functional parent adipic acid (CHEBI:30832) 3-oxoadipic acid (CHEBI:37440) has role bacterial xenobiotic metabolite (CHEBI:76976) 3-oxoadipic acid (CHEBI:37440) has role human metabolite (CHEBI:77746) 3-oxoadipic acid (CHEBI:37440) is a dicarboxylic fatty acid (CHEBI:189840) 3-oxoadipic acid (CHEBI:37440) is a oxo dicarboxylic acid (CHEBI:36145) 3-oxoadipic acid (CHEBI:37440) is conjugate acid of 3-oxoadipate(2−) (CHEBI:15775)

Incoming	3-oxoadipyl-CoA (CHEBI:15490) has functional parent 3-oxoadipic acid (CHEBI:37440) 3-oxoadipate(2−) (CHEBI:15775) is conjugate base of 3-oxoadipic acid (CHEBI:37440)

IUPAC Name

3-oxohexanedioic acid

Last Modified

24 February 2022