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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:etonogestrel
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Accession:CHEBI:50777 term browser browse the term
Definition:A terminal acetylenic compound that has formula C22H28O2.
Synonyms:exact_synonym: 17alpha-ethynyl-17beta-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one
 related_synonym: 3-Ketodesogestrel;   3-Oxodesogestrel;   Formula=C22H28O2;   Implanon;   InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1;   InChIKey=GCKFUYQCUCGESZ-BPIQYHPVSA-N;   SMILES=[H][C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@@](O)(C#C)[C@@]3(CC)CC(=C)[C@]21[H];   etonogestrelum
 xref: Beilstein:4237530;   CAS:54048-10-1;   DrugBank:DB00294;   Drug_Central:1110;   KEGG:D04104
 xref_mesh: MESH:C044815
 xref: Patent:EP51762;   Patent:US4371529


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Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        organic group 0
          3-oxo-Delta(4)-steroid group 0
            3-oxo-Delta(4) steroid 0
              etonogestrel 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbonyl compound 0
                                    ketone 0
                                      oxo steroid 0
                                        3-oxo steroid 0
                                          3-oxo-Delta(4) steroid 0
                                            etonogestrel 0
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