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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:diclofenac
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Accession:CHEBI:47381 term browser browse the term
Definition:A monocarboxylic acid consisting of phenylacetic acid having a (2,6-dichlorophenyl)amino group at the 2-position.
Synonyms:exact_synonym: {2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid
 related_synonym: 2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID;   Formula=C14H11Cl2NO2;   InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19);   InChIKey=DCOPUUMXTXDBNB-UHFFFAOYSA-N;   SMILES=C1(Cl)=CC=CC(=C1NC2=CC=CC=C2CC(=O)O)Cl;   [2-(2,6-dichloroanilino)phenyl]acetic acid;   diclofenac acid;   diclofenaco;   diclofenacum;   diclofenamic acid
 alt_id: CHEBI:4507;   CHEBI:47380
 xref: Beilstein:2146636;   CAS:15307-86-5;   DrugBank:DB00586;   Drug_Central:865;   HMDB:HMDB0014724;   KEGG:C01690;   KEGG:D07816;   LINCS:LSM-2160
 xref_mesh: MESH:D004008
 xref: PDBeChem:DIF;   PMID:11322639;   PMID:1502708;   PMID:23777257;   PMID:27967303;   PMID:7838674;   Patent:NL6604752;   Patent:US3558690;   Reaxys:2146636;   VSDB:1933;   Wikipedia:Diclofenac
 cyclic_relationship: is_conjugate_acid_of CHEBI:48311



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diclofenac term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G CYP2C41 cytochrome P450 2C41 affects metabolic processing
increases hydroxylation
EXP CYP2C9 protein affects the metabolism of Diclofenac
CYP2C19 protein results in increased hydroxylation of Diclofenac
CTD PMID:15677349 PMID:15801540
G PTGS1 prostaglandin-endoperoxide synthase 1 decreases activity EXP Diclofenac results in decreased activity of PTGS1 protein alternative form CTD PMID:12242329 NCBI chr 9:60,195,118...60,216,847
Ensembl chr 9:60,195,124...60,216,819
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 400
    role 402
      biological role 400
        xenobiotic 35
          diclofenac 2
            3'-hydroxy-4'-methoxydiclofenac 0
            3'-hydroxydiclofenac 0
            4',5-dihydroxydiclofenac 0
            4'-hydroxydiclofenac 0
            4'-hydroxydiclofenac quinone imine 0
            5-hydroxydiclofenac 0
            5-hydroxydiclofenac quinone imine 0
            aceclofenac 0
            diclofenac beta-D-glucosiduronic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 400
    subatomic particle 400
      composite particle 402
        hadron 400
          baryon 400
            nucleon 400
              atomic nucleus 400
                atom 400
                  main group element atom 395
                    p-block element atom 395
                      carbon group element atom 382
                        carbon atom 383
                          organic molecular entity 381
                            organic group 311
                              organic divalent group 310
                                organodiyl group 310
                                  carbonyl group 310
                                    carbonyl compound 310
                                      carboxylic acid 275
                                        monocarboxylic acid 91
                                          acetic acid 22
                                            phenylacetic acid 4
                                              diclofenac 2
                                                3'-hydroxy-4'-methoxydiclofenac 0
                                                3'-hydroxydiclofenac 0
                                                4',5-dihydroxydiclofenac 0
                                                4'-hydroxydiclofenac 0
                                                4'-hydroxydiclofenac quinone imine 0
                                                5-hydroxydiclofenac 0
                                                5-hydroxydiclofenac quinone imine 0
                                                aceclofenac 0
                                                diclofenac beta-D-glucosiduronic acid 0
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