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ONTOLOGY REPORT - ANNOTATIONS


Term:estrone sodium sulfate
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Accession:CHEBI:8389 term browser browse the term
Definition:A steroid sulfate that has formula C18H21O5S.Na.
Synonyms:exact_synonym: sodium 17-oxoestra-1(10),2,4-trien-3-yl sulfate
 related_synonym: 17-Oxoestra-1,3,5(10)-trien-3-yl sodium sulfate;   Estrogenic substances (conjugated);   Estrone-3-sulfate sodium salt;   Formula=C18H21O5S.Na;   InChI=1S/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,15-,16+,18+;/m1./s1;   InChIKey=VUCAHVBMSFIGAI-ZFINNJDLSA-M;   Oestrone-3-sulphate sodium salt;   Premarin;   SMILES=[Na+].[H][C@]12CC[C@]3(C)C(=O)CC[C@@]3([H])[C@]1([H])CCc1cc(OS([O-])(=O)=O)ccc21;   Sodium estrone 3-sulfate
 xref: Beilstein:3835414;   CAS:438-67-5;   DrugBank:DB00286;   KEGG:D00312


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  CHEBI ontology 19790
    role 19738
      application 19385
        pharmaceutical 19254
          drug 19254
            antineoplastic agent 16919
              estrone 124
                estrone sodium sulfate 0
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  CHEBI ontology 19790
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19674
                    p-block element atom 19674
                      chalcogen 19378
                        oxygen atom 19339
                          oxygen molecular entity 19339
                            hydroxides 19079
                              oxoacid 18174
                                chalcogen oxoacid 11481
                                  sulfur oxoacid 11081
                                    sulfuric acid 8012
                                      sulfuric acid derivative 8012
                                        sulfates 8009
                                          organic sulfate 1931
                                            steroid sulfate 61
                                              estrone sodium sulfate 0
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