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eurysterol B sulfonic acid - Ontology Report - Rat Genome Database

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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 20845
    role 20805
      biological role 20803
        biochemical role 20250
          metabolite 20231
            eurysterol B sulfonic acid 0
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  CHEBI ontology 20845
    subatomic particle 20843
      composite particle 20843
        hadron 20843
          baryon 20843
            nucleon 20843
              atomic nucleus 20843
                atom 20843
                  main group element atom 20766
                    p-block element atom 20766
                      chalcogen 20477
                        oxygen atom 20443
                          oxygen molecular entity 20443
                            hydroxides 20216
                              oxoacid 19271
                                chalcogen oxoacid 13878
                                  sulfur oxoacid 13670
                                    sulfuric acid 8352
                                      sulfuric acid derivative 8352
                                        sulfates 8347
                                          organic sulfate 2475
                                            steroid sulfate 66
                                              eurysterol B sulfonic acid 0
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