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CHEBI:133250 - 5-chloromuconolactone(1−)

ChEBI IDCHEBI:133250
ChEBI Name5-chloromuconolactone(1−)
Stars
ASCII Name5-chloromuconolactone(1-)
DefinitionA monocarboxylic acid anion that is the conjugate base of 5-chloromuconolactone, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified6 February 2017
Submittergemma
DownloadsMolfile
FormulaC6H4ClO4
Net Charge-1
Average Mass175.547
Monoisotopic Mass174.98036
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)/p-1
InChIKeyKGCZGOVWTWDEQD-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Rhodococcus opacus (ncbitaxon:37919) - PubMed (12218013)
Roles Classification
Biological Role:
bacterial xenobiotic metabolite  Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
ChEBI Ontology
Outgoing Relation(s)
5-chloromuconolactone(1−) (CHEBI:133250) has role bacterial xenobiotic metabolite (CHEBI:76976)
5-chloromuconolactone(1−) (CHEBI:133250) is a monocarboxylic acid anion (CHEBI:35757)
5-chloromuconolactone(1−) (CHEBI:133250) is conjugate base of 5-chloromuconolactone (CHEBI:134415)
Incoming Relation(s)
5-chloromuconolactone (CHEBI:134415) is conjugate acid of 5-chloromuconolactone(1−) (CHEBI:133250)
Synonyms  Source
5-chloromuconolactone anionChEBI
chloro(5-oxo-2,5-dihydrofuran-2-yl)acetateChEBI
Registry NumbersSources
Reaxys:25133429Reaxys
Citations