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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 19834
        role 19810
          biological role 19808
            xenobiotic 18727
              indometacin 3439
                acemetacin 1
                oxametacin 0
                proglumetacin + 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19834
        subatomic particle 19832
          composite particle 19832
            hadron 19832
              baryon 19832
                nucleon 19832
                  atomic nucleus 19832
                    atom 19832
                      main group element atom 19782
                        p-block element atom 19782
                          carbon group element atom 19730
                            carbon atom 19727
                              organic molecular entity 19727
                                organic group 18947
                                  organic divalent group 18922
                                    organodiyl group 18922
                                      carbonyl group 18879
                                        carbonyl compound 18879
                                          carboxylic acid 18605
                                            carboacyl group 17694
                                              univalent carboacyl group 17694
                                                carbamoyl group 17544
                                                  carboxamide 17544
                                                    N-acylindole 3439
                                                      indometacin 3439
                                                        acemetacin 1
                                                        oxametacin 0
                                                        proglumetacin + 0
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