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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 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            xenobiotic metabolite 0
              human xenobiotic metabolite 0
                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
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  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
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      ketone 0
                                        oxyketone 0
                                          alpha-oxyketone 0
                                            alpha-hydroxy ketone 0
                                              secondary alpha-hydroxy ketone 0
                                                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
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