5-chloromuconolactone (CHEBI:134415)

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ChEBI Name	5-chloromuconolactone

ChEBI ID	CHEBI:134415

Definition	A 5-oxo-2-furylacetic acid that is muconolactone substituted at position 5 by a chloro group.

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

Supplier Information

Download	Molfile XML SDF

Formula

C6H5ClO4

Net Charge

Average Mass

176.555

Monoisotopic Mass

175.98764

InChI

InChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)

InChIKey

KGCZGOVWTWDEQD-UHFFFAOYSA-N

SMILES

O1C(C=CC1C(C(O)=O)Cl)=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.

ChEBI Ontology
Outgoing	5-chloromuconolactone (CHEBI:134415) has functional parent 5-oxo-2,5-dihydro-2-furylacetic acid (CHEBI:18080) 5-chloromuconolactone (CHEBI:134415) has role bacterial xenobiotic metabolite (CHEBI:76976) 5-chloromuconolactone (CHEBI:134415) is a 5-oxo-2-furylacetic acid (CHEBI:23730) 5-chloromuconolactone (CHEBI:134415) is a chlorocarboxylic acid (CHEBI:36685) 5-chloromuconolactone (CHEBI:134415) is conjugate acid of 5-chloromuconolactone(1−) (CHEBI:133250)

Incoming	5-chloromuconolactone(1−) (CHEBI:133250) is conjugate base of 5-chloromuconolactone (CHEBI:134415)

IUPAC Name

chloro(5-oxo-2,5-dihydrofuran-2-yl)acetic acid

Citation	Type	Source
12218013	PubMed citation	Europe PMC

Last Modified

06 February 2017