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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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  CHEBI ontology 849
    role 827
      biological role 827
        biochemical role 703
          metabolite 687
            xenobiotic metabolite 109
              human xenobiotic metabolite 81
                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 849
    subatomic particle 834
      composite particle 834
        hadron 834
          baryon 834
            nucleon 834
              atomic nucleus 834
                atom 834
                  main group element atom 823
                    p-block element atom 820
                      carbon group element atom 794
                        carbon atom 790
                          organic molecular entity 790
                            organic group 372
                              organic divalent group 370
                                organodiyl group 370
                                  carbonyl group 369
                                    carbonyl compound 369
                                      ketone 174
                                        oxyketone 97
                                          alpha-oxyketone 97
                                            alpha-hydroxy ketone 97
                                              secondary alpha-hydroxy ketone 74
                                                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
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