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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 19899
        role 19870
          biological role 19868
            xenobiotic 18753
              indometacin 3448
                acemetacin 1
                oxametacin 0
                proglumetacin + 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19899
        subatomic particle 19897
          composite particle 19897
            hadron 19897
              baryon 19897
                nucleon 19897
                  atomic nucleus 19897
                    atom 19897
                      main group element atom 19836
                        p-block element atom 19836
                          carbon group element atom 19776
                            carbon atom 19772
                              organic molecular entity 19772
                                organic molecule 19725
                                  organic cyclic compound 19517
                                    organic heterocyclic compound 18894
                                      organic heteropolycyclic compound 18322
                                        organic heterobicyclic compound 17272
                                          benzopyrrole 9757
                                            indoles 9447
                                              indolyl carboxylic acid 3464
                                                indol-3-yl carboxylic acid 3463
                                                  indole-3-acetic acids 3457
                                                    indometacin 3448
                                                      acemetacin 1
                                                      oxametacin 0
                                                      proglumetacin + 0
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