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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:(3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate
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Accession:CHEBI:133103 term browser browse the term
Definition:An androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.
Synonyms:exact_synonym: 3alpha-hydroxy-5alpha-androstan-17beta-yl hydrogen sulfate
 related_synonym: 5alpha-androstane-3alpha,17beta-diol 17-monosulfate;   Androstane-3,17-diol 17-sulfate;   Formula=C19H32O5S;   InChI=1S/C19H32O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12-17,20H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1;   InChIKey=KWYNDVHEQWYGIL-KHOSGYARSA-N;   SMILES=C1[C@@]2([C@@]([C@@]3([C@](C[C@H](O)CC3)(C1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])OS(O)(=O)=O)C)[H])[H]
 xref: CAS:24869-99-6;   Reaxys:21955171
 cyclic_relationship: is_conjugate_acid_of CHEBI:133105


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  CHEBI ontology 221
    role 221
      chemical role 159
        catalyst 1
          sulfuric acid 1
            sulfuric acid derivative 1
              organic sulfate 1
                steroid sulfate 1
                  androstane sulfate 0
                    (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 221
    subatomic particle 221
      composite particle 221
        hadron 221
          baryon 221
            nucleon 221
              atomic nucleus 221
                atom 221
                  main group element atom 214
                    p-block element atom 214
                      chalcogen 183
                        oxygen atom 181
                          oxygen molecular entity 181
                            hydroxides 154
                              oxoacid 122
                                chalcogen oxoacid 12
                                  sulfur oxoacid 12
                                    sulfuric acid 1
                                      sulfuric acid derivative 1
                                        sulfates 1
                                          organic sulfate 1
                                            steroid sulfate 1
                                              androstane sulfate 0
                                                (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
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