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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:indometacin
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Accession:CHEBI:49662 term browser browse the term
Definition:A member of the class of indole-3-acetic acids that is indole-3-acetic acid in which the indole ring is substituted at positions 1, 2 and 5 by p-chlorobenzoyl, methyl, and methoxy groups, respectively. A non-steroidal anti-inflammatory drug, it is used in the treatment of musculoskeletal and joint disorders including osteoarthritis, rheumatoid arthritis, gout, bursitis and tendinitis.
Synonyms:exact_synonym: [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid
 related_synonym: 1-(p-chlorobenzoyl)-5-methoxy-2-methylindole-3-acetic acid;   Aconip;   Formula=C19H16ClNO4;   InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23);   InChIKey=CGIGDMFJXJATDK-UHFFFAOYSA-N;   Indocin;   Indomethacin;   SMILES=COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1;   indometacina;   indometacine;   indometacinum;   {1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid
 alt_id: CHEBI:49660;   CHEBI:5918
 xref: Beilstein:497341;   CAS:53-86-1;   DrugBank:DB00328;   Drug_Central:1440;   Gmelin:1446006;   HMDB:HMDB0014473;   KEGG:C01926;   KEGG:D00141;   KNApSAcK:C00030512;   LINCS:LSM-3275
 xref_mesh: MESH:D007213
 xref: MetaCyc:CPD-10545;   PDBeChem:IMN;   PMID:22931205;   PMID:23992308;   PMID:28166217;   PMID:5952296;   PMID:6039425;   Patent:BE379378;   Patent:US3161654;   Reaxys:497341;   Wikipedia:Indometacin


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  • Term paths to the root
    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19786
        role 19732
          biological role 19732
            xenobiotic 18425
              indometacin 3186
                acemetacin 1
                oxametacin 0
                proglumetacin + 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19786
        subatomic particle 19784
          composite particle 19784
            hadron 19784
              baryon 19784
                nucleon 19784
                  atomic nucleus 19784
                    atom 19784
                      main group element atom 19675
                        p-block element atom 19675
                          carbon group element atom 19596
                            carbon atom 19586
                              organic molecular entity 19586
                                organic group 18631
                                  organic divalent group 18622
                                    organodiyl group 18622
                                      carbonyl group 18537
                                        carbonyl compound 18537
                                          carboxylic acid 18215
                                            carboacyl group 17441
                                              univalent carboacyl group 17441
                                                carbamoyl group 17248
                                                  carboxamide 17248
                                                    N-acylindole 3186
                                                      indometacin 3186
                                                        acemetacin 1
                                                        oxametacin 0
                                                        proglumetacin + 0
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