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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androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.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 851
    role 829
      chemical role 621
        catalyst 34
          sulfuric acid 34
            sulfuric acid derivative 34
              organic sulfate 13
                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 851
    subatomic particle 836
      composite particle 836
        hadron 836
          baryon 836
            nucleon 836
              atomic nucleus 836
                atom 836
                  main group element atom 825
                    p-block element atom 822
                      chalcogen 789
                        oxygen atom 736
                          oxygen molecular entity 736
                            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
                                              androstane sulfate 0
                                                (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
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