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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:5alpha-androstane-3alpha,17beta-diol disulfate
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Accession:CHEBI:133101 term browser browse the term
Definition:An androstane sulfate that is 5alpha-androstan-3alpha,17beta-diol in which both hydroxy hydrogens have been replaced by sulfo groups.
Synonyms:exact_synonym: 5alpha-androstane-3alpha,17beta-diyl bis(hydrogen sulfate)
 related_synonym: (3alpha,5alpha,17beta)-androstane-3,17-diyl bis(hydrogen sulfate);   Formula=C19H32O8S2;   InChI=1S/C19H32O8S2/c1-18-9-7-13(26-28(20,21)22)11-12(18)3-4-14-15-5-6-17(27-29(23,24)25)19(15,2)10-8-16(14)18/h12-17H,3-11H2,1-2H3,(H,20,21,22)(H,23,24,25)/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1;   InChIKey=JHFAETDERBWUOO-KHOSGYARSA-N;   SMILES=C1[C@@]2([C@@]([C@@]3([C@](C[C@H](OS(O)(=O)=O)CC3)(C1)[H])C)(CC[C@@]4([C@H](CC[C@@]24[H])OS(O)(=O)=O)C)[H])[H]
 cyclic_relationship: is_conjugate_acid_of CHEBI:133100;   is_conjugate_acid_of CHEBI:133102


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Path 1
Term Annotations click to browse term
  CHEBI ontology 494
    role 501
      chemical role 420
        catalyst 2
          sulfuric acid 2
            sulfuric acid derivative 2
              organic sulfate 2
                steroid sulfate 1
                  androstane sulfate 0
                    5alpha-androstane-3alpha,17beta-diol disulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      chalcogen 445
                        oxygen atom 448
                          oxygen molecular entity 443
                            hydroxides 418
                              oxoacid 373
                                chalcogen oxoacid 13
                                  sulfur oxoacid 13
                                    sulfuric acid 2
                                      sulfuric acid derivative 2
                                        sulfates 2
                                          organic sulfate 2
                                            steroid sulfate 1
                                              androstane sulfate 0
                                                5alpha-androstane-3alpha,17beta-diol disulfate 0
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