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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:eurysterol B sulfonic acid
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Accession:CHEBI:68594 term browser browse the term
Definition:A steroid sulfate that is 5alpha-cholestane with a double bond at position 22, hydroxy groups at positions 5 and 6, a bridged oxolane between positions 8 and 19 and a sulfate group at position 3.
Synonyms:exact_synonym: (3beta,5alpha,6beta,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl hydrogen sulfate
 related_synonym: (3beta,5alpha,6beta,22E)-5,6-dihydroxy-8,19-epoxycholest-22-en-3-yl sulfonic acid;   Formula=C27H44O7S;   InChI=1S/C27H44O7S/c1-17(2)6-5-7-18(3)20-8-9-21-24(20,4)12-11-22-25-13-10-19(34-35(30,31)32)14-27(25,29)23(28)15-26(21,22)33-16-25/h5,7,17-23,28-29H,6,8-16H2,1-4H3,(H,30,31,32)/b7-5+/t18-,19+,20-,21-,22-,23-,24-,25+,26-,27+/m1/s1;   InChIKey=QPVBWEUWNJWRLD-XPVUCKRVSA-N;   SMILES=[H][C@@]1(CC[C@]2([H])[C@]1(C)CC[C@]1([H])[C@@]34CC[C@@H](C[C@]3(O)[C@H](O)C[C@@]21OC4)OS(O)(=O)=O)[C@H](C)\\C=C\\CC(C)C
 cyclic_relationship: is_conjugate_acid_of CHEBI:68593

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  CHEBI ontology 0
    role 0
      biological role 0
        biochemical role 0
          metabolite 0
            eurysterol B sulfonic acid 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
                      chalcogen 0
                        oxygen atom 0
                          oxygen molecular entity 0
                            hydroxides 0
                              oxoacid 0
                                chalcogen oxoacid 0
                                  sulfur oxoacid 0
                                    sulfuric acid 0
                                      sulfuric acid derivative 0
                                        sulfates 0
                                          organic sulfate 0
                                            steroid sulfate 0
                                              eurysterol B sulfonic acid 0
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