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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:fulvestrant
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Accession:CHEBI:31638 term browser browse the term
Definition:A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group. An estrogen receptor antagonist, it is used in the treatment of breast cancer.
Synonyms:exact_synonym: 7alpha-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17beta-diol
 related_synonym: (7alpha,17beta)-7-{9-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol;   Faslodex;   Formula=C32H47F5O3S;   ICI-182780;   InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29?,30+,41?/m1/s1;   InChIKey=VWUXBMIQPBEWFH-WCCTWKNTSA-N;   SMILES=C=1C=C(C=C2C1[C@]3(CC[C@@]4([C@H](CC[C@]4([C@@]3([C@@H](C2)CCCCCCCCCS(=O)CCCC(C(F)(F)F)(F)F)[H])[H])O)C)[H])O;   fulvestrantum
 alt_id: CHEBI:87729
 xref: CAS:129453-61-8;   DrugBank:DB00947;   Drug_Central:1255;   KEGG:D01161;   LINCS:LSM-6504
 xref_mesh: MESH:C070081
 xref: PMID:18683044;   PMID:19369092;   PMID:21319872;   PMID:21699443;   PMID:25720568;   Wikipedia:Fulvestrant


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      CHEBI ontology 19841
        role 19817
          application 19661
            pharmaceutical 19502
              drug 19502
                antineoplastic agent 17767
                  fulvestrant 3630
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      CHEBI ontology 19841
        subatomic particle 19839
          composite particle 19839
            hadron 19839
              baryon 19839
                nucleon 19839
                  atomic nucleus 19839
                    atom 19839
                      main group element atom 19789
                        p-block element atom 19789
                          carbon group element atom 19737
                            carbon atom 19733
                              organic molecular entity 19733
                                organic molecule 19686
                                  organic cyclic compound 19498
                                    organic polycyclic compound 17247
                                      steroid 14693
                                        hydroxy steroid 14439
                                          17-hydroxy steroid 14077
                                            17beta-hydroxy steroid 13327
                                              fulvestrant 3630
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