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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Definition:A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group.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 19911
        role 19854
          application 19722
            pharmaceutical 19556
              drug 19556
                antineoplastic agent 17830
                  fulvestrant 3634
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      CHEBI ontology 19911
        subatomic particle 19909
          composite particle 19909
            hadron 19880
              baryon 19880
                nucleon 19909
                  atomic nucleus 19880
                    atom 19909
                      main group element atom 19849
                        p-block element atom 19849
                          carbon group element atom 19766
                            carbon atom 19785
                              organic molecular entity 19785
                                organic molecule 19737
                                  organic cyclic compound 19526
                                    organic polycyclic compound 17311
                                      steroid 14705
                                        hydroxy steroid 14469
                                          17-hydroxy steroid 14112
                                            17beta-hydroxy steroid 13351
                                              fulvestrant 3634
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