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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androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which the hydroxy hydrogen at position 17 has been replaced by a sulfo group.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 paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 21434
    role 21409
      chemical role 20721
        catalyst 8325
          sulfuric acid 8286
            sulfuric acid derivative 8286
              organic sulfate 2175
                steroid sulfate 65
                  androstane sulfate 0
                    (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21434
    subatomic particle 21417
      composite particle 21417
        hadron 21417
          baryon 21417
            nucleon 21417
              atomic nucleus 21417
                atom 21417
                  main group element atom 21313
                    p-block element atom 21313
                      chalcogen 20413
                        oxygen atom 20389
                          oxygen molecular entity 20389
                            hydroxides 20048
                              oxoacid 19347
                                chalcogen oxoacid 11815
                                  sulfur oxoacid 11415
                                    sulfuric acid 8286
                                      sulfuric acid derivative 8286
                                        sulfates 8283
                                          organic sulfate 2175
                                            steroid sulfate 65
                                              androstane sulfate 0
                                                (3alpha,5alpha,17beta)-3-hydroxyandrostan-17-yl sulfate 0
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