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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:testosterone sulfate
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Accession:CHEBI:84094 term browser browse the term
Definition:A steroid sulfate that is testosterone substituted by a sulfoxy group at position 17.
Synonyms:exact_synonym: (17beta)-3-oxoandrost-4-en-17-yl hydrogen sulfate
 related_synonym: Formula=C19H28O5S;   InChI=1S/C19H28O5S/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/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17-,18-,19-/m0/s1;   InChIKey=WAQBISPOEAOCOG-DYKIIFRCSA-N;   SMILES=C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OS(O)(=O)=O;   testosterone-17beta-sulfate
 xref: CAS:651-45-6;   HMDB:HMDB0002833;   PMID:21849521;   PMID:3609707;   Reaxys:2422110
 cyclic_relationship: is_conjugate_acid_of CHEBI:190489


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 5066
    chemical entity 5066
      group 5045
        organic group 4657
          3-oxo-Delta(4)-steroid group 50
            3-oxo-Delta(4) steroid 50
              testosterone sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    p-block element atom 5023
                      chalcogen 4928
                        oxygen atom 4896
                          oxygen molecular entity 4896
                            hydroxides 4848
                              oxoacid 406
                                chalcogen oxoacid 79
                                  sulfur oxoacid 63
                                    sulfuric acid 40
                                      sulfuric acid derivative 40
                                        sulfates 39
                                          organic sulfate 17
                                            steroid sulfate 1
                                              testosterone sulfate 0
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