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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:2-hydroxy-17beta-estradiol 3-sulfate(1-)
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Accession:CHEBI:133942 term browser browse the term
Definition:A steroid sulfate oxoanion that is the conjugate base of 2-hydroxy-17beta-estradiol 3-sulfate, obtained by deprotonation of the sulfo group.
Synonyms:exact_synonym: 2,17beta-dihydroxyestra-1,3,5(10)-trien-3-yl sulfate
 related_synonym: (17beta)-2,17-dihydroxyestra-1,3,5(10)-trien-3-yl sulfate;   (17beta)-estra-1,3,5(10)-triene-2,3,17-triol 3-sulfate(1-);   2-hydroxy-17beta-estradiol 3-sulfate;   Formula=C18H23O6S;   InChI=1S/C18H24O6S/c1-18-7-6-11-12(14(18)4-5-17(18)20)3-2-10-8-16(24-25(21,22)23)15(19)9-13(10)11/h8-9,11-12,14,17,19-20H,2-7H2,1H3,(H,21,22,23)/p-1/t11-,12+,14-,17-,18-/m0/s1;   InChIKey=SAURDTOTDJOGPE-XSSYPUMDSA-M;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C=C(OS([O-])(=O)=O)C(=C4)O)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H];   estra-1,3,5(10)-triene-2,3,17beta-triol 3-sulfate(1-)
 xref: PMID:17425406
 cyclic_relationship: is_conjugate_base_of CHEBI:136585


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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        biochemical role 4938
          metabolite 4926
            2-hydroxy-17beta-estradiol 0
              2-hydroxy-17beta-estradiol 3-sulfate(1-) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    p-block element atom 5010
                      carbon group element atom 4927
                        carbon atom 4954
                          organic molecular entity 4926
                            organic molecule 4874
                              organic cyclic compound 4812
                                organic polycyclic compound 167
                                  steroid 107
                                    hydroxy steroid 75
                                      3-hydroxy steroid 41
                                        phenolic steroid 27
                                          estradiol 26
                                            17beta-estradiol 26
                                              2-hydroxy-17beta-estradiol 0
                                                2-hydroxy-17beta-estradiol 3-sulfate(1-) 0
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