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ONTOLOGY REPORT - ANNOTATIONS


Term:21-hydroxypregnenolone disulfate
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Accession:CHEBI:133695 term browser browse the term
Definition:A steroid sulfate that is 21-hydroxypregnenolone in which both hydroxy hydrogens have been replaced by sulfo groups.
Synonyms:exact_synonym: 20-oxopregn-5-ene-3beta,21-diyl bis(hydrogen sulfate)
 related_synonym: (3beta)-20-oxopregn-5-ene-3,21-diyl bis(hydrogen sulfate);   Formula=C21H32O9S2;   InChI=1S/C21H32O9S2/c1-20-9-7-14(30-32(26,27)28)11-13(20)3-4-15-16-5-6-18(19(22)12-29-31(23,24)25)21(16,2)10-8-17(15)20/h3,14-18H,4-12H2,1-2H3,(H,23,24,25)(H,26,27,28)/t14-,15-,16-,17-,18+,20-,21-/m0/s1;   InChIKey=CBOVWLYQUCVTFA-WPWXJNKXSA-N;   Pregnenolone-3,21-disulfate;   SMILES=C1[C@@]2([C@]3(CC[C@]4(C)[C@](CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS(O)(=O)=O)[H])[H])(C(COS(O)(=O)=O)=O)[H])[H])C
 xref: CAS:5639-07-6;   PMID:9219925;   Reaxys:6024733
 cyclic_relationship: is_conjugate_acid_of CHEBI:133698;   is_conjugate_acid_of CHEBI:133699


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  CHEBI ontology 19790
    role 19738
      chemical role 19269
        catalyst 8051
          sulfuric acid 8012
            sulfuric acid derivative 8012
              organic sulfate 1931
                steroid sulfate 61
                  21-hydroxypregnenolone disulfate 0
Path 2
Term Annotations click to browse term
  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
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            organic group 18475
                              organic divalent group 18468
                                organodiyl group 18468
                                  carbonyl group 18366
                                    carbonyl compound 18366
                                      ketone 16011
                                        oxyketone 8605
                                          alpha-oxyketone 8605
                                            alpha-hydroxy ketone 8605
                                              primary alpha-hydroxy ketone 7483
                                                21-hydroxypregnenolone 0
                                                  21-hydroxypregnenolone disulfate 0
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