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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androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.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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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      chemical role 0
        catalyst 0
          sulfuric acid 0
            sulfuric acid derivative 0
              organic sulfate 0
                steroid sulfate 0
                  androstane sulfate 0
                    (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
Path 2
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
                                              androstane sulfate 0
                                                (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
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