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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: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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Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      application 21744
        pharmaceutical 21187
          drug 21159
            antineoplastic agent 18896
              estrone 132
                estrone sodium sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      chalcogen 21431
                        oxygen atom 21437
                          oxygen molecular entity 21409
                            hydroxides 20789
                              oxoacid 20101
                                chalcogen oxoacid 14366
                                  sulfur oxoacid 14151
                                    sulfuric acid 8516
                                      sulfuric acid derivative 8516
                                        sulfates 8511
                                          organic sulfate 2529
                                            steroid sulfate 65
                                              estrone sodium sulfate 0
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