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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 paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24191
    role 24084
      biological role 24050
        biochemical role 23331
          metabolite 23235
            xenobiotic metabolite 15276
              human xenobiotic metabolite 14464
                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24191
    subatomic particle 24144
      composite particle 24144
        hadron 24144
          baryon 24144
            nucleon 24144
              atomic nucleus 24144
                atom 24144
                  main group element atom 23976
                    p-block element atom 23976
                      carbon group element atom 23703
                        carbon atom 23660
                          organic molecular entity 23660
                            organic group 22176
                              organic divalent group 22150
                                organodiyl group 22150
                                  carbonyl group 22129
                                    carbonyl compound 22129
                                      ketone 18308
                                        oxyketone 9204
                                          alpha-oxyketone 9204
                                            alpha-hydroxy ketone 9204
                                              secondary alpha-hydroxy ketone 901
                                                16alpha-hydroxydehydroepiandrosterone 3-sulfate 0
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