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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 19911
        role 19887
          biological role 19885
            xenobiotic 18773
              indometacin 3442
                acemetacin 1
                oxametacin 0
                proglumetacin + 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19911
        subatomic particle 19909
          composite particle 19909
            hadron 19909
              baryon 19909
                nucleon 19909
                  atomic nucleus 19909
                    atom 19909
                      main group element atom 19859
                        p-block element atom 19859
                          carbon group element atom 19803
                            carbon atom 19799
                              organic molecular entity 19799
                                organic group 18986
                                  organic divalent group 18961
                                    organodiyl group 18961
                                      carbonyl group 18917
                                        carbonyl compound 18917
                                          carboxylic acid 18641
                                            carboacyl group 17703
                                              univalent carboacyl group 17703
                                                carbamoyl group 17548
                                                  carboxamide 17548
                                                    N-acylindole 3442
                                                      indometacin 3442
                                                        acemetacin 1
                                                        oxametacin 0
                                                        proglumetacin + 0
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