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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 19821
    role 19769
      biological role 19769
        aetiopathogenetic role 19044
          hepatotoxic agent 15127
            ibufenac 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      carbon group element atom 19640
                        carbon atom 19630
                          organic molecular entity 19630
                            organic group 18737
                              organic divalent group 18728
                                organodiyl group 18728
                                  carbonyl group 18675
                                    carbonyl compound 18675
                                      carboxylic acid 18373
                                        monocarboxylic acid 17636
                                          acetic acid 10853
                                            ibufenac 0
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