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ONTOLOGY REPORT - ANNOTATIONS


Term:16alpha-hydroxyestrone 3-O-(beta-D-glucuronide)
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Accession:CHEBI:137488 term browser browse the term
Definition:A steroid glucosiduronic acid that is 16alpha-hydroxyestrone in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue.
Synonyms:exact_synonym: 16alpha-hydroxy-17-oxoestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
 related_synonym: Formula=C24H30O9;   InChI=1S/C24H30O9/c1-24-7-6-13-12-5-3-11(32-23-19(28)17(26)18(27)20(33-23)22(30)31)8-10(12)2-4-14(13)15(24)9-16(25)21(24)29/h3,5,8,13-20,23,25-28H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,23-,24+/m1/s1;   InChIKey=LUVBXKQCOJYEJY-OWYKRJLGSA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(CC3)C=C(C=C4)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O)(CC[C@@]2(C(=O)[C@@H]1O)C)[H])[H])[H]
 xref: PMID:26220143 "Europe PMC";   Reaxys:28631358 "Reaxys"
 cyclic_relationship: is_conjugate_acid_of CHEBI:136635


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  CHEBI ontology 19679
    role 19623
      application 19246
        pharmaceutical 19108
          drug 19108
            antineoplastic agent 16565
              estrone 124
                16alpha-hydroxyestrone 0
                  16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) 0
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  CHEBI ontology 19679
    subatomic particle 19675
      composite particle 19675
        hadron 19675
          baryon 19675
            nucleon 19675
              atomic nucleus 19675
                atom 19675
                  main group element atom 19555
                    p-block element atom 19555
                      carbon group element atom 19438
                        carbon atom 19430
                          organic molecular entity 19430
                            heteroorganic entity 19012
                              organochalcogen compound 18727
                                organooxygen compound 18635
                                  carbohydrates and carbohydrate derivatives 11733
                                    carbohydrate 11733
                                      carbohydrate derivative 11346
                                        glycosyl compound 10293
                                          glycoside 9108
                                            glycosiduronic acid 129
                                              glucosiduronic acid 129
                                                beta-D-glucosiduronic acid 40
                                                  16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.