CHEBI:27772 - 4-chlorocatechol

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ChEBI Name 4-chlorocatechol
ChEBI ID CHEBI:27772
Definition A chlorocatechol that is catechol substituted by a chloro group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20338, CHEBI:1806
Supplier Information
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Formula C6H5ClO2
Net Charge 0
Average Mass 144.55540
Monoisotopic Mass 143.99781
InChI InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
InChIKey WWOBYPKUYODHDG-UHFFFAOYSA-N
SMILES Oc1ccc(Cl)cc1O
Roles Classification
Biological Role(s): bacterial xenobiotic metabolite
Any bacterial metabolite produced by metabolism of a xenobiotic compound in bacteria.
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ChEBI Ontology
Outgoing 4-chlorocatechol (CHEBI:27772) has role bacterial xenobiotic metabolite (CHEBI:76976)
4-chlorocatechol (CHEBI:27772) is a chlorocatechol (CHEBI:23138)
4-chlorocatechol (CHEBI:27772) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name
4-chlorobenzene-1,2-diol
Synonyms Sources
4-chloro-1,2-benzenediol ChemIDplus
4-Chlorocatechol KEGG COMPOUND
4-chlorocatechol UniProt
4-chloropyrocatechol ChemIDplus
Manual Xrefs Databases
4CL PDBeChem
C02375 KEGG COMPOUND
c0296 UM-BBD
CPD-9152 MetaCyc
HMDB0041810 HMDB
View more database links
Registry Numbers Types Sources
1907691 Beilstein Registry Number Beilstein
1907691 Reaxys Registry Number Reaxys
2138-22-9 CAS Registry Number KEGG COMPOUND
2138-22-9 CAS Registry Number ChemIDplus
602391 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
23261399 PubMed citation Europe PMC
24057966 PubMed citation Europe PMC
24064298 PubMed citation Europe PMC
Last Modified
01 December 2015