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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:17alpha-hydroxypregnenolone 3-sulfate
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Accession:CHEBI:89454 term browser browse the term
Definition:A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.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;   17-hydroxypregnenolone 3-sulfate;   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;   FooDB:FDB022032;   HMDB:HMDB0000416;   LIPID_MAPS_instance:LMST05020021;   PMID:12642469;   PMID:12829005;   PMID:14163950;   PMID:14264252;   PMID:14625002;   PMID:17298837;   PMID:26239050;   PMID:28472487;   PMID:3208699;   PMID:3260857;   PMID:34324429;   PMID:4054406;   PMID:4076471;   Reaxys:5774387
 cyclic_relationship: is_conjugate_acid_of CHEBI:133742


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Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      chemical role 19479
        catalyst 8303
          sulfuric acid 8253
            sulfuric acid derivative 8253
              organic sulfate 2290
                steroid sulfate 65
                  17alpha-hydroxypregnenolone 3-sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            organic molecule 19706
                              organic cyclic compound 19495
                                organic polycyclic compound 17291
                                  steroid 14716
                                    hydroxy steroid 14466
                                      3-hydroxy steroid 12807
                                        3beta-hydroxy steroid 2540
                                          3beta-hydroxy-Delta(5)-steroid 2366
                                            pregnenolone 2072
                                              hydroxypregnenolone 1
                                                17alpha-hydroxypregnenolone 1
                                                  17alpha-hydroxypregnenolone 3-sulfate 0
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