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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Definition:A steroid sulfate that is 17alpha-hydroxypregnenolone in which the hydroxy hydrogen at position 3 has been replaced by a sulfo group.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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  CHEBI ontology 0
    role 0
      chemical role 0
        catalyst 0
          sulfuric acid 0
            sulfuric acid derivative 0
              organic sulfate 0
                steroid sulfate 0
                  17alpha-hydroxypregnenolone 3-sulfate 0
Path 2
Term Annotations click to browse term
  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 molecule 0
                              organic cyclic compound 0
                                organic polycyclic compound 0
                                  steroid 0
                                    hydroxy steroid 0
                                      3-hydroxy steroid 0
                                        3beta-hydroxy steroid 0
                                          3beta-hydroxy-Delta(5)-steroid 0
                                            pregnenolone 0
                                              hydroxypregnenolone 0
                                                17alpha-hydroxypregnenolone 0
                                                  17alpha-hydroxypregnenolone 3-sulfate 0
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