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ONTOLOGY REPORT - ANNOTATIONS


Term:17-hydroxypregnenolone 3-sulfate
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Accession:CHEBI:89454 term browser browse the term
Definition:A steroid sulfate that is 17-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.
Synonyms:exact_synonym: 17-hydroxy-20-oxopregn-5-en-3beta-yl hydrogen sulfate
 related_synonym: (3beta)-17-hydroxy-20-oxopregn-5-en-3-yl hydrogen sulfate;   17-Hydroxy-pregnenolone sulfate;   17-Hydroxy-pregnenolone sulphate;   17-Hydroxypregnenolone 3-sulphate;   17-Hydroxypregnenolone sulfate;   17-Hydroxypregnenolone sulphate;   17alpha-hydroxypregnenolone sulfate;   Formula=C21H32O6S;   InChI=1S/C21H32O6S/c1-13(22)21(23)11-8-18-16-5-4-14-12-15(27-28(24,25)26)6-9-19(14,2)17(16)7-10-20(18,21)3/h4,15-18,23H,5-12H2,1-3H3,(H,24,25,26)/t15-,16+,17-,18-,19-,20-,21-/m0/s1;   InChIKey=OMOKWYAQVYBHMG-TVWVXWENSA-N;   SMILES=C1[C@@]2([C@]3(CC[C@]4(C)[C@](CC[C@]4([C@@]3(CC=C2C[C@H](C1)OS(O)(=O)=O)[H])[H])(C(C)=O)O)[H])C
 xref: CAS:28901-70-4 "ChemIDplus";   HMDB:HMDB0000416;   LIPID_MAPS_instance:LMST05020021 "LIPID MAPS";   PMID:14163950 "Europe PMC";   PMID:14264252 "Europe PMC";   PMID:17298837 "Europe PMC";   PMID:3208699 "Europe PMC";   PMID:3260857 "Europe PMC";   PMID:4054406 "Europe PMC";   PMID:4076471 "Europe PMC";   Reaxys:5774387 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:133742


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  CHEBI ontology 0
    role 0
      chemical role 0
        catalyst 0
          sulfuric acid 0
            sulfuric acid derivative 0
              organic sulfate 0
                steroid sulfate 0
                  17-hydroxypregnenolone 3-sulfate 0
Path 2
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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
                                              tertiary alpha-hydroxy ketone 0
                                                17alpha-hydroxypregnenolone 0
                                                  17-hydroxypregnenolone 3-sulfate 0
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