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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:5-hydroxydiclofenac
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Accession:CHEBI:59612 term browser browse the term
Definition:A monocarboxylic acid that is the 5-hydroxylated metabolite of diclofenac.
Synonyms:exact_synonym: {2-[(2,6-dichlorophenyl)amino]-5-hydroxyphenyl}acetic acid
 related_synonym: 2-[(2,6-Dichloroanilino)-5-hydroxyphenyl]acetic acid;   5-OH DCF;   5-hydroxy diclofenac;   Formula=C14H11Cl2NO3;   InChI=1S/C14H11Cl2NO3/c15-10-2-1-3-11(16)14(10)17-12-5-4-9(18)6-8(12)7-13(19)20/h1-6,17-18H,7H2,(H,19,20);   InChIKey=VNQURRWYKFZKJZ-UHFFFAOYSA-N;   SMILES=OC(=O)Cc1cc(O)ccc1Nc1c(Cl)cccc1Cl
 xref: CAS:69002-84-2
 xref_mesh: MESH:C117715
 xref: PMID:10027798;   PMID:10027801;   PMID:10449188;   PMID:12734606;   PMID:14609740;   PMID:15139759;   PMID:15265128;   PMID:17123753;   PMID:18548238;   PMID:18800545;   PMID:2118185;   PMID:23208430;   PMID:28166217;   PMID:7479564;   PMID:9114978;   PMID:9862754;   Reaxys:4199419



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5-hydroxydiclofenac term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp2b3 cytochrome P450, family 2, subfamily b, polypeptide 3 multiple interactions ISO [CYP2B6 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac CTD PMID:24246759 NCBI chr 1:90,780,468...90,859,852
Ensembl chr 1:81,652,787...81,732,143
JBrowse link
G Cyp2c11 cytochrome P450, subfamily 2, polypeptide 11 multiple interactions ISO [CYP2C18 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac CTD PMID:24246759 NCBI chr 1:246,175,216...246,211,445
Ensembl chr 1:236,762,842...236,799,066
JBrowse link
G Cyp2c6 cytochrome P450, family 2, subfamily C, polypeptide 6 multiple interactions ISO [CYP2C19 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac CTD PMID:24246759 NCBI chr 1:247,879,058...247,916,804
Ensembl chr 1:237,693,094...238,057,596
JBrowse link
G Cyp2d4 cytochrome P450, family 2, subfamily d, polypeptide 4 multiple interactions ISO [CYP2D6 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac CTD PMID:24246759 NCBI chr 7:115,762,662...115,771,832
Ensembl chr 7:113,881,618...113,891,759
JBrowse link
G Cyp3a2 cytochrome P450, family 3, subfamily a, polypeptide 2 multiple interactions ISO [[CYP3A4 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased hydroxylation of Diclofenac] which results in increased abundance of 5-hydroxydiclofenac; [CYP3A4 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac; Ketoconazole inhibits the reaction [[CYP3A4 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac] CTD PMID:24246759 NCBI chr12:14,321,771...14,343,886
Ensembl chr12:9,015,383...9,285,008
JBrowse link
G Cyp3a9 cytochrome P450, family 3, subfamily a, polypeptide 9 multiple interactions ISO [CYP3A5 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac CTD PMID:24246759 NCBI chr12:21,919,955...21,960,160
Ensembl chr12:16,806,207...16,846,422
JBrowse link
G Gstp1 glutathione S-transferase pi 1 multiple interactions ISO [[CYP3A4 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased hydroxylation of Diclofenac] which results in increased abundance of 5-hydroxydiclofenac; [CYP2B6 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac; [CYP2C18 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac; [CYP2C19 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac; [CYP2D6 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac; [CYP3A4 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac; [CYP3A5 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac; Ketoconazole inhibits the reaction [[CYP3A4 protein co-treated with GSTP1 protein co-treated with Glutathione] results in increased abundance of 5-hydroxydiclofenac] CTD PMID:24246759 NCBI chr 1:210,767,237...210,770,242
Ensembl chr 1:201,321,672...201,340,226
JBrowse link
G Mpo myeloperoxidase multiple interactions ISO [Hydrogen Peroxide results in increased activity of MPO protein] which results in increased oxidation of and results in increased susceptibility to 5-hydroxydiclofenac CTD PMID:28754375 NCBI chr10:73,092,124...73,102,057
Ensembl chr10:72,594,661...72,604,819
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20856
    role 20816
      biological role 20814
        xenobiotic 19523
          diclofenac 1219
            5-hydroxydiclofenac 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 20856
    subatomic particle 20854
      composite particle 20854
        hadron 20854
          baryon 20854
            nucleon 20854
              atomic nucleus 20854
                atom 20854
                  main group element atom 20777
                    p-block element atom 20777
                      carbon group element atom 20710
                        carbon atom 20704
                          organic molecular entity 20704
                            heteroorganic entity 20215
                              organochalcogen compound 19902
                                organooxygen compound 19804
                                  carbon oxoacid 19150
                                    carboxylic acid 19147
                                      monocarboxylic acid 18300
                                        acetic acid 11168
                                          phenylacetic acid 1372
                                            diclofenac 1219
                                              5-hydroxydiclofenac 8
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