Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:27772 - 4-chlorocatechol
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
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
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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.
View more via ChEBI Ontology
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
Types
Sources
23261399
PubMed citation
Europe PMC
24057966
PubMed citation
Europe PMC
24064298
PubMed citation
Europe PMC
Last Modified
01 December 2015