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ONTOLOGY REPORT - ANNOTATIONS


Term:17-epiestriol 16-O-(beta-D-glucuronide)
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Accession:CHEBI:137706 term browser browse the term
Definition:A steroid glucosiduronic acid that is 17-epiestriol having a single beta-D-glucuronic acid residue attached at position 16.
Synonyms:exact_synonym: 3,17alpha-dihydroxyestra-1(10),2,4-trien-16alpha-yl beta-D-glucopyranosiduronic acid
 related_synonym: (16alpha,17alpha)-3,17-dihydroxyestra-1(10),2,4-trien-16-yl beta-D-glucopyranosiduronic acid;   16alpha,17alpha-estriol 16-beta-D-glucuronide;   16alpha,17alpha-estriol 17-beta-D-glucuronide;   Formula=C24H32O9;   InChI=1S/C24H32O9/c1-24-7-6-13-12-5-3-11(25)8-10(12)2-4-14(13)15(24)9-16(21(24)29)32-23-19(28)17(26)18(27)20(33-23)22(30)31/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21-,23-,24+/m1/s1;   InChIKey=FQYGGFDZJFIDPU-PHEYUCJMSA-N;   SMILES=C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)[H])[H])=CC(=C1)O
 xref: Reaxys:23416852 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:136884


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  CHEBI ontology 19654
    role 19598
      biological role 19596
        pharmacological role 18671
          agonist 17994
            estrogen receptor agonist 223
              17-epiestriol 0
                17-epiestriol 16-O-(beta-D-glucuronide) 0
Path 2
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  CHEBI ontology 19654
    subatomic particle 19650
      composite particle 19650
        hadron 19650
          baryon 19650
            nucleon 19650
              atomic nucleus 19650
                atom 19650
                  main group element atom 19531
                    p-block element atom 19531
                      carbon group element atom 19413
                        carbon atom 19405
                          organic molecular entity 19405
                            heteroorganic entity 18990
                              organochalcogen compound 18705
                                organooxygen compound 18615
                                  carbohydrates and carbohydrate derivatives 11721
                                    carbohydrate 11721
                                      carbohydrate derivative 11336
                                        glycosyl compound 10287
                                          glycoside 9103
                                            glycosiduronic acid 129
                                              glucosiduronic acid 129
                                                beta-D-glucosiduronic acid 40
                                                  17-epiestriol 16-O-(beta-D-glucuronide) 0
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