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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:16alpha-hydroxydehydroepiandrosterone 3-sulfate
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Accession:CHEBI:87774 term browser browse the term
Definition:An androstanoid that is dehydroepiandrosterone 3-sulfate substituted by a hydroxy group at the 16alpha-position.
Synonyms:exact_synonym: 16alpha-hydroxy-17-oxoandrost-5-en-3beta-yl hydrogen sulfate
 related_synonym: (3beta)-16alpha-hydroxy-17-oxoandrost-5-en-3-yl sulfate;   (3beta,16alpha)-16-hydroxy-17-oxoandrost-5-en-3-yl sulfate;   16alpha-hydroxy-DHEA 3-sulfate;   3beta-sulfooxy-16alpha-hydroxyandrost-5-en-17-one;   Formula=C19H28O6S;   InChI=1S/C19H28O6S/c1-18-7-5-12(25-26(22,23)24)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)21/h3,12-16,20H,4-10H2,1-2H3,(H,22,23,24)/t12-,13+,14-,15-,16+,18-,19-/m0/s1;   InChIKey=ALBNSVAJDFJRKQ-DNKQKWOHSA-N;   SMILES=C1[C@@]2([C@@]([C@@]3(C(C[C@@H](OS(O)(=O)=O)CC3)=C1)C)(CC[C@]4([C@]2(C[C@H](C4=O)O)[H])C)[H])[H]
 xref: PMID:153014;   PMID:17178770;   Reaxys:6004315
 cyclic_relationship: is_conjugate_acid_of CHEBI:87538


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Term Annotations click to browse term
  CHEBI ontology 21416
    role 21404
      biological role 21402
        biochemical role 20521
          metabolite 20467
            xenobiotic metabolite 14374
              human xenobiotic metabolite 13533
                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21416
    subatomic particle 21412
      composite particle 21412
        hadron 21412
          baryon 21412
            nucleon 21412
              atomic nucleus 21412
                atom 21412
                  main group element atom 21307
                    p-block element atom 21307
                      carbon group element atom 21082
                        carbon atom 20979
                          organic molecular entity 20979
                            organic group 19479
                              organic divalent group 19469
                                organodiyl group 19469
                                  carbonyl group 19446
                                    carbonyl compound 19446
                                      ketone 16617
                                        oxyketone 8799
                                          alpha-oxyketone 8799
                                            alpha-hydroxy ketone 8799
                                              secondary alpha-hydroxy ketone 876
                                                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
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