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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Definition:A 3-hydroxy steroid that is 17beta-estradiol in which the 7alpha hydrogen has been replaced by a nonyl group in which one of the hydrogens of the terminal methyl has been replaced by a (4,4,5,5,5-pentafluoropentyl)sulfinyl group.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 20089
        role 20042
          application 19781
            pharmaceutical 19624
              drug 19655
                antineoplastic agent 17669
                  fulvestrant 3605
    Path 2
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      CHEBI ontology 20089
        subatomic particle 20058
          composite particle 20058
            hadron 20088
              baryon 20088
                nucleon 20088
                  atomic nucleus 20088
                    atom 20058
                      main group element atom 19960
                        p-block element atom 19990
                          carbon group element atom 19916
                            carbon atom 19909
                              organic molecular entity 19909
                                organic molecule 19856
                                  organic cyclic compound 19612
                                    organic polycyclic compound 17201
                                      steroid 14380
                                        hydroxy steroid 14111
                                          17-hydroxy steroid 13771
                                            17beta-hydroxy steroid 12911
                                              fulvestrant 3605
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