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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:ibufenac
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Accession:CHEBI:76158 term browser browse the term
Definition:A monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is replaced by a 4-isobutylphenyl group. Although it was shown to be effective in treatment of rheumatoid arthritis, the clinical use of ibufenac was discontinued due to hepatotoxic side-effects.
Synonyms:exact_synonym: (4-isobutylphenyl)acetic acid;   [4-(2-methylpropyl)phenyl]acetic acid
 related_synonym: (p-Isobutylphenyl)acetic acid;   4-(2-Methylpropyl)benzeneacetic acid;   4-Isobutylphenylacetic acid;   Dytransin;   Formula=C12H16O2;   Ibunac;   InChI=1S/C12H16O2/c1-9(2)7-10-3-5-11(6-4-10)8-12(13)14/h3-6,9H,7-8H2,1-2H3,(H,13,14);   InChIKey=CYWFCPPBTWOZSF-UHFFFAOYSA-N;   SMILES=CC(C)Cc1ccc(CC(O)=O)cc1;   ibufenaco;   ibufenacum
 xref: CAS:1553-60-2;   Drug_Central:3293;   KEGG:D01963
 xref_mesh: MESH:C100118
 xref: PMID:1479559;   PMID:16456879;   PMID:21128314;   PMID:2585272;   PMID:3215965;   PMID:5329891;   PMID:5657238;   PMID:5748163;   PMID:5752436;   PMID:5807207;   PMID:687781;   PMID:7587932;   PMID:9061203;   Patent:US2008014272;   Patent:US2011212904;   Patent:US4391814;   Patent:WO2010013279;   Reaxys:2046683


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19922
    role 19894
      biological role 19864
        aetiopathogenetic role 19237
          hepatotoxic agent 16283
            ibufenac 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19922
    subatomic particle 19892
      composite particle 19892
        hadron 19920
          baryon 19892
            nucleon 19920
              atomic nucleus 19892
                atom 19892
                  main group element atom 19866
                    p-block element atom 19866
                      carbon group element atom 19805
                        carbon atom 19802
                          organic molecular entity 19775
                            heteroorganic entity 19556
                              organochalcogen compound 19315
                                organooxygen compound 19205
                                  carbon oxoacid 18694
                                    carboxylic acid 18691
                                      monocarboxylic acid 18007
                                        acetic acid 11092
                                          ibufenac 0
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