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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 1:83,163,103...83,236,615
Ensembl chr 1:83,163,079...83,236,615
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 1:258,074,797...258,139,176
Ensembl chr 1:258,074,860...258,139,176
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 1:147,713,879...147,814,410
Ensembl chr 1:147,713,892...147,888,007
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 7:123,599,264...123,608,436
Ensembl chr 7:123,599,266...123,608,436
JBrowse link
G Cyp3a62 cytochrome P450, family 3, subfamily a, polypeptide 62 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 chr12:18,679,809...18,709,397
Ensembl chr12:18,678,594...18,709,397
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 chr12:19,074,288...19,114,491
Ensembl chr12:19,074,583...19,114,399
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 1:219,291,679...219,294,147
Ensembl chr 1:219,291,679...219,294,147
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 chr10:75,087,892...75,098,260
Ensembl chr10:75,087,892...75,098,260
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      biological role 19716
        xenobiotic 18392
          diclofenac 1009
            5-hydroxydiclofenac 8
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      carbon group element atom 19574
                        carbon atom 19564
                          organic molecular entity 19564
                            organic group 18599
                              organic divalent group 18590
                                organodiyl group 18590
                                  carbonyl group 18505
                                    carbonyl compound 18505
                                      carboxylic acid 18157
                                        monocarboxylic acid 17530
                                          acetic acid 10855
                                            phenylacetic acid 1165
                                              diclofenac 1009
                                                5-hydroxydiclofenac 8
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