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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androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.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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Path 1
Term Annotations click to browse term
  CHEBI ontology 24359
    role 24266
      chemical role 22461
        catalyst 8521
          sulfuric acid 8483
            sulfuric acid derivative 8483
              organic sulfate 1990
                steroid sulfate 63
                  androstane sulfate 0
                    (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24359
    subatomic particle 24315
      composite particle 24315
        hadron 24315
          baryon 24315
            nucleon 24315
              atomic nucleus 24315
                atom 24315
                  main group element atom 24160
                    p-block element atom 24160
                      chalcogen 23180
                        oxygen atom 23052
                          oxygen molecular entity 23052
                            hydroxides 22290
                              oxoacid 21428
                                chalcogen oxoacid 12210
                                  sulfur oxoacid 11772
                                    sulfuric acid 8483
                                      sulfuric acid derivative 8483
                                        sulfates 8480
                                          organic sulfate 1990
                                            steroid sulfate 63
                                              androstane sulfate 0
                                                (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
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