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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:4-androstene-3beta,17beta-diol disulfate
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Accession:CHEBI:133124 term browser browse the term
Definition:A steroid sulfate that is 4-androstene-3beta,17beta-diol in which both hydroxy hydrogens have been replaced by sulfo groups.
Synonyms:exact_synonym: androst-4-ene-3beta,17beta-diyl bis(hydrogen sulfate)
 related_synonym: (3beta,17beta)-androst-4-ene-3,17-diyl bis(hydrogen sulfate);   Formula=C19H30O8S2;   InChI=1S/C19H30O8S2/c1-18-9-7-13(26-28(20,21)22)11-12(18)3-4-14-15-5-6-17(27-29(23,24)25)19(15,2)10-8-16(14)18/h11,13-17H,3-10H2,1-2H3,(H,20,21,22)(H,23,24,25)/t13-,14-,15-,16-,17-,18-,19-/m0/s1;   InChIKey=UWPTUYJASNIIJM-LOVVWNRFSA-N;   SMILES=C1[C@@]2([C@@]([C@@]3(C(=C[C@@H](OS(O)(=O)=O)CC3)C1)C)(CC[C@@]4([C@H](CC[C@@]24[H])OS(O)(=O)=O)C)[H])[H]
 xref: Reaxys:29608273
 cyclic_relationship: is_conjugate_acid_of CHEBI:133123;   is_conjugate_acid_of CHEBI:133126


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  CHEBI ontology 849
    role 827
      chemical role 614
        catalyst 34
          sulfuric acid 34
            sulfuric acid derivative 34
              organic sulfate 13
                steroid sulfate 1
                  4-androstene-3beta,17beta-diol disulfate 0
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  CHEBI ontology 849
    subatomic particle 834
      composite particle 834
        hadron 834
          baryon 834
            nucleon 834
              atomic nucleus 834
                atom 834
                  main group element atom 823
                    p-block element atom 820
                      chalcogen 790
                        oxygen atom 737
                          oxygen molecular entity 737
                            hydroxides 663
                              oxoacid 296
                                chalcogen oxoacid 54
                                  sulfur oxoacid 45
                                    sulfuric acid 34
                                      sulfuric acid derivative 34
                                        sulfates 33
                                          organic sulfate 13
                                            steroid sulfate 1
                                              4-androstene-3beta,17beta-diol disulfate 0
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