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ONTOLOGY REPORT - ANNOTATIONS


Term:5alpha-pregnane-3beta,20alpha-diol disulfate
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Accession:CHEBI:133119 term browser browse the term
Definition:A steroid sulfate that is 5alpha-pregnane-3beta,20alpha-diol in which both hydroxy hydrogens have been replaced by sulfo groups.
Synonyms:exact_synonym: (20S)-5alpha-pregnane-3beta,20-diyl bis(hydrogen sulfate)
 related_synonym: (3beta,5alpha,20S)-pregnane-3,20-diyl bis(hydrogen sulfate);   Formula=C21H36O8S2;   InChI=1S/C21H36O8S2/c1-13(28-30(22,23)24)17-6-7-18-16-5-4-14-12-15(29-31(25,26)27)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19H,4-12H2,1-3H3,(H,22,23,24)(H,25,26,27)/t13-,14-,15-,16-,17+,18-,19-,20-,21+/m0/s1;   InChIKey=LSQGWMYMIHQKSA-ZVPCKFNKSA-N;   Pregnane-3,20-diol 3,20-disulfate;   SMILES=C1[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC[C@]2(C[C@H](C1)OS(O)(=O)=O)[H])[H])(CC[C@]4([H])[C@@H](OS(O)(=O)=O)C)[H])C)[H])C
 xref: CAS:27935-53-1
 cyclic_relationship: is_conjugate_acid_of CHEBI:133118;   is_conjugate_acid_of CHEBI:133121


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  CHEBI ontology 19779
    role 19727
      chemical role 19258
        catalyst 8053
          sulfuric acid 8014
            sulfuric acid derivative 8014
              organic sulfate 1935
                steroid sulfate 62
                  5alpha-pregnane-3beta,20alpha-diol disulfate 0
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  CHEBI ontology 19779
    subatomic particle 19777
      composite particle 19777
        hadron 19777
          baryon 19777
            nucleon 19777
              atomic nucleus 19777
                atom 19777
                  main group element atom 19664
                    p-block element atom 19664
                      chalcogen 19366
                        oxygen atom 19327
                          oxygen molecular entity 19327
                            hydroxides 19071
                              oxoacid 18165
                                chalcogen oxoacid 11482
                                  sulfur oxoacid 11082
                                    sulfuric acid 8014
                                      sulfuric acid derivative 8014
                                        sulfates 8011
                                          organic sulfate 1935
                                            steroid sulfate 62
                                              5alpha-pregnane-3beta,20alpha-diol disulfate 0
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