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ONTOLOGY REPORT - ANNOTATIONS


Term:2-hydroxy-17beta-estradiol 3-sulfate(1-)
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Accession:CHEBI:133942 term browser browse the term
Definition:A steroid sulfate oxoanion that is the conjugate base of 2-hydroxy-17beta-estradiol 3-sulfate, obtained by deprotonation of the sulfo group.
Synonyms:exact_synonym: 2,17beta-dihydroxyestra-1,3,5(10)-trien-3-yl sulfate
 related_synonym: (17beta)-2,17-dihydroxyestra-1,3,5(10)-trien-3-yl sulfate;   (17beta)-estra-1,3,5(10)-triene-2,3,17-triol 3-sulfate(1-);   2-hydroxy-17beta-estradiol 3-sulfate;   Formula=C18H23O6S;   InChI=1S/C18H24O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,17,19-20H,2-7H2,1H3,(H,21,22,23)/p-1/t11-,12+,14-,17-,18-/m0/s1;   InChIKey=SAURDTOTDJOGPE-XSSYPUMDSA-M;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C=C(OS([O-])(=O)=O)C(=C4)O)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H];   estra-1,3,5(10)-triene-2,3,17beta-triol 3-sulfate(1-)
 xref: PMID:17425406
 cyclic_relationship: is_conjugate_base_of CHEBI:136585


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  CHEBI ontology 19789
    role 19735
      biological role 19734
        biochemical role 19227
          metabolite 19202
            2-hydroxy-17beta-estradiol 20
              2-hydroxy-17beta-estradiol 3-sulfate(1-) 0
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  CHEBI ontology 19789
    subatomic particle 19787
      composite particle 19787
        hadron 19787
          baryon 19787
            nucleon 19787
              atomic nucleus 19787
                atom 19787
                  main group element atom 19672
                    p-block element atom 19672
                      carbon group element atom 19569
                        carbon atom 19558
                          organic molecular entity 19558
                            organic molecule 19480
                              organic cyclic compound 19239
                                organic polycyclic compound 16393
                                  steroid 12809
                                    steroid fundamental parent 12424
                                      estrane 9659
                                        estradiol 9500
                                          17beta-estradiol 9500
                                            2-hydroxy-17beta-estradiol 20
                                              2-hydroxy-17beta-estradiol 3-sulfate(1-) 0
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