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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 5066
    role 5030
      application 869
        pharmaceutical 719
          drug 719
            antineoplastic agent 179
              estrone 1
                estrone sodium sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      chalcogen 4928
                        oxygen atom 4896
                          oxygen molecular entity 4896
                            hydroxides 4848
                              oxoacid 406
                                chalcogen oxoacid 79
                                  sulfur oxoacid 63
                                    sulfuric acid 40
                                      sulfuric acid derivative 40
                                        sulfates 39
                                          organic sulfate 17
                                            steroid sulfate 1
                                              estrone sodium sulfate 0
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