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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Definition:A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group.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 26490
        role 26267
          application 25573
            pharmaceutical 24991
              drug 24988
                antineoplastic agent 21410
                  fulvestrant 3966
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      CHEBI ontology 26490
        subatomic particle 26466
          composite particle 26466
            hadron 26411
              baryon 26411
                nucleon 26466
                  atomic nucleus 26411
                    atom 26466
                      main group element atom 26201
                        p-block element atom 26201
                          carbon group element atom 25593
                            carbon atom 25606
                              organic molecular entity 25606
                                organic molecule 25348
                                  organic cyclic compound 24401
                                    organic polycyclic compound 19009
                                      steroid 15884
                                        hydroxy steroid 15573
                                          17-hydroxy steroid 15178
                                            17beta-hydroxy steroid 14224
                                              fulvestrant 3966
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