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CHEBI:134415 - 5-chloromuconolactone

ChEBI IDCHEBI:134415
ChEBI Name5-chloromuconolactone
Stars
DefinitionA 5-oxo-2-furylacetic acid that is muconolactone substituted at position 5 by a chloro group.
Last Modified6 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC6H5ClO4
Net Charge0
Average Mass176.555
Monoisotopic Mass175.98764
SMILESO=C1C=CC(C(Cl)C(=O)O)O1
InChIInChI=1S/C6H5ClO4/c7-5(6(9)10)3-1-2-4(8)11-3/h1-3,5H,(H,9,10)
InChIKeyKGCZGOVWTWDEQD-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
Citations