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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:tolmetin
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Accession:CHEBI:71941 term browser browse the term
Definition:A monocarboxylic acid that is (1-methylpyrrol-2-yl)acetic acid substituted at position 5 on the pyrrole ring by a 4-methylbenzoyl group. Used in the form of its sodium salt dihydrate as a nonselective nonsteroidal anti-inflammatory drug.
Synonyms:exact_synonym: [1-methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetic acid
 related_synonym: 1-Methyl-5-(4-methylbenzoyl)-pyrrole-2-acetic acid;   1-Methyl-5-p-toluoylpyrrole-2-acetic acid;   5-(p-Toluoyl)-1-methylpyrrole-2-acetic acid;   Formula=C15H15NO3;   InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)15(19)13-8-7-12(16(13)2)9-14(17)18/h3-8H,9H2,1-2H3,(H,17,18);   InChIKey=UPSPUYADGBWSHF-UHFFFAOYSA-N;   SMILES=Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C;   tolmetina;   tolmetine;   tolmetino;   tolmetinum
 alt_id: CHEBI:9618
 xref: CAS:26171-23-3;   DrugBank:DB00500;   Drug_Central:2699;   HMDB:HMDB0014643;   KEGG:C07149;   KEGG:D02355;   LINCS:LSM-3852
 xref_mesh: MESH:D014046
 xref: PDBeChem:TLT;   PMID:1206489;   PMID:19181568;   PMID:19505209;   PMID:20529813;   PMID:20582193;   PMID:20853464;   PMID:21936545;   PMID:22005020;   PMID:22943177;   PMID:23333829;   PMID:3390998;   PMID:445955;   PMID:6686452;   PMID:8472518;   Patent:DE2836902;   Patent:MX2010012712;   Patent:WO2004069782;   Patent:WO2008017903;   Patent:WO2009072139;   Reaxys:485305;   Wikipedia:Tolmetin
 cyclic_relationship: is_conjugate_acid_of CHEBI:72213


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Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      application 869
        anti-inflammatory agent 71
          anti-inflammatory drug 50
            non-steroidal anti-inflammatory drug 18
              tolmetin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      carbon group element atom 4940
                        carbon atom 4939
                          organic molecular entity 4939
                            organic molecule 4887
                              organic cyclic compound 4825
                                organic heterocyclic compound 4614
                                  heteroarene 135
                                    monocyclic heteroarene 33
                                      azole 33
                                        pyrroles 3
                                          tolmetin 0
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