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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:4-chlorocatechol
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Accession:CHEBI:27772 term browser browse the term
Definition:A chlorocatechol that is catechol substituted by a chloro group at position 4.
Synonyms:related_synonym: 4-chloro-1,2-benzenediol;   4-chlorobenzene-1,2-diol;   4-chloropyrocatechol
 alt_id: CHEBI:1806;   CHEBI:20338
 xref: CAS:2138-22-9;   Gmelin:602391;   HMDB:HMDB0041810
 xref_mesh: MESH:C038861
 xref: Reaxys:1907691;   kegg.compound:C02375;   metacyc.compound:CPD-9152;   pdb-ccd:4CL;   pubmed:23261399;   pubmed:24057966;   pubmed:24064298;   umbbd.compound:c0296
 chemrof_formula: C6H5ClO2
 chemrof_inchi: InChI=1S/C6H5ClO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
 chemrof_smiles: Oc1ccc(Cl)cc1O
 chemrof_inchikey: WWOBYPKUYODHDG-UHFFFAOYSA-N


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4-chlorocatechol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Comt catechol-O-methyltransferase increases methylation ISO
EXP 		COMT protein results in increased methylation of 4-chlorocatechol CTD PMID:11160877 NCBI chr11:96,072,371...96,091,956
Ensembl chr11:96,072,489...96,092,533 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20874
    role 20844
      biological role 20831
        biochemical role 19888
          metabolite 19624
            xenobiotic metabolite 11380
              bacterial xenobiotic metabolite 215
                4-chlorocatechol 1
Path 2
Term Annotations click to browse term
  CHEBI ontology 20874
    subatomic particle 20883
      composite particle 20883
        hadron 20872
          baryon 20883
            nucleon 20872
              atomic nucleus 20883
                atom 20872
                  main group element atom 20796
                    p-block element atom 20796
                      carbon group element atom 20712
                        carbon atom 20706
                          organic molecular entity 20706
                            organic molecule 20499
                              organic cyclic compound 20390
                                carbocyclic compound 18739
                                  benzenoid aromatic compound 17899
                                    benzenes 17656
                                      chlorobenzenes 15281
                                        chlorocatechol 2
                                          4-chlorocatechol 1
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