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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:desogestrel
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Accession:CHEBI:4453 term browser browse the term
Definition:A terminal acetylenic compound that has formula C22H30O.
Synonyms:exact_synonym: 17alpha-ethynyl-11-methylidene-18a-homo-estr-4-en-17beta-ol
 related_synonym: 13-Ethyl-11-methylene-18,19-dinor-17alpha-pregn-4-en-20-yn-17-ol;   Cerazette;   Formula=C22H30O;   InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1;   InChIKey=RPLCPCMSCLEKRS-BPIQYHPVSA-N;   SMILES=[H][C@]12CCCC=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C#C)[C@@]3(CC)CC(=C)[C@]21[H];   desogestrelum
 xref: Beilstein:5094648;   CAS:54024-22-5;   DrugBank:DB00304;   Drug_Central:818;   KEGG:C07629;   KEGG:D02367;   LIPID_MAPS_instance:LMST02030104
 xref_mesh: MESH:D017135
 xref: Patent:DE2361120;   Patent:US3927046;   Wikipedia:Desogestrel


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Path 1
Term Annotations click to browse term
  CHEBI ontology 499
    role 499
      application 457
        pharmaceutical 451
          drug 451
            reproductive control drug 5
              contraceptive drug 2
                desogestrel 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      carbon group element atom 481
                        carbon atom 480
                          organic molecular entity 480
                            organic molecule 471
                              organic cyclic compound 454
                                organic polycyclic compound 65
                                  steroid 40
                                    hydroxy steroid 20
                                      17-hydroxy steroid 13
                                        17beta-hydroxy steroid 7
                                          desogestrel 0
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