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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 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 501
    role 501
      biological role 501
        xenobiotic 40
          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 501
    subatomic particle 501
      composite particle 501
        hadron 501
          baryon 501
            nucleon 495
              atomic nucleus 501
                atom 501
                  main group element atom 494
                    p-block element atom 494
                      carbon group element atom 483
                        carbon atom 482
                          organic molecular entity 482
                            heteroorganic entity 476
                              organochalcogen compound 430
                                organooxygen compound 428
                                  carbon oxoacid 368
                                    carboxylic acid 368
                                      monocarboxylic acid 92
                                        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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