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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Definition:A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group.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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    Path 1
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      CHEBI ontology 19918
        role 19894
          application 19729
            pharmaceutical 19565
              drug 19565
                antineoplastic agent 17770
                  fulvestrant 3633
    Path 2
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      CHEBI ontology 19918
        subatomic particle 19916
          composite particle 19916
            hadron 19916
              baryon 19916
                nucleon 19916
                  atomic nucleus 19916
                    atom 19916
                      main group element atom 19866
                        p-block element atom 19866
                          carbon group element atom 19811
                            carbon atom 19806
                              organic molecular entity 19806
                                organic molecule 19758
                                  organic cyclic compound 19565
                                    organic polycyclic compound 17279
                                      steroid 14707
                                        hydroxy steroid 14451
                                          17-hydroxy steroid 14094
                                            17beta-hydroxy steroid 13342
                                              fulvestrant 3633
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