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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Definition:A steroid sulfate that is 4-androstene-3beta,17beta-diol in which both hydroxy hydrogens have been replaced by sulfo groups.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 0
    role 0
      chemical role 0
        catalyst 0
          sulfuric acid 0
            sulfuric acid derivative 0
              organic sulfate 0
                steroid sulfate 0
                  4-androstene-3beta,17beta-diol disulfate 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            steroid sulfate 0
                                              4-androstene-3beta,17beta-diol disulfate 0
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