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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: Beilstein:4199419;   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 1:81,652,762...81,732,153
Ensembl chr 1:81,652,787...81,732,143
JBrowse link
G Cyp2c24 cytochrome P450, family 2, subfamily c, polypeptide 24 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 1:236,873,967...236,936,238
Ensembl chr 1:236,873,967...236,936,238
JBrowse link
G Cyp2c6v1 cytochrome P450, family 2, subfamily C, polypeptide 6, variant 1 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 1:237,938,521...237,976,238
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 7:113,882,584...113,891,754
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 chr12:9,207,986...9,230,038
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 chr12:16,806,222...16,846,428
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 1:201,337,762...201,340,230
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 chr10:72,594,458...72,608,862
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 19800
    role 19751
      biological role 19751
        xenobiotic 18436
          diclofenac 1010
            5-hydroxydiclofenac 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19800
    subatomic particle 19799
      composite particle 19799
        hadron 19799
          baryon 19799
            nucleon 19799
              atomic nucleus 19799
                atom 19799
                  main group element atom 19698
                    p-block element atom 19698
                      carbon group element atom 19619
                        carbon atom 19609
                          organic molecular entity 19609
                            organic group 18718
                              organic divalent group 18702
                                organodiyl group 18702
                                  carbonyl group 18651
                                    carbonyl compound 18651
                                      carboxylic acid 18346
                                        monocarboxylic acid 17622
                                          acetic acid 10862
                                            phenylacetic acid 1166
                                              diclofenac 1010
                                                5-hydroxydiclofenac 8
paths to the root