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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: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Definition:A steroid glucosiduronic acid that is 16alpha-hydroxyestrone in which the phenolic hydrogen has been replaced by a beta-D-glucuronyl residue.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;   Reaxys:28631358
 cyclic_relationship: is_conjugate_acid_of CHEBI:136635


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19844
    role 19820
      application 19663
        pharmaceutical 19504
          drug 19504
            antineoplastic agent 17765
              estrone 127
                16alpha-hydroxyestrone 0
                  16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19844
    subatomic particle 19842
      composite particle 19842
        hadron 19842
          baryon 19842
            nucleon 19809
              atomic nucleus 19842
                atom 19842
                  main group element atom 19792
                    p-block element atom 19792
                      carbon group element atom 19738
                        carbon atom 19734
                          organic molecular entity 19734
                            heteroorganic entity 19486
                              organochalcogen compound 19249
                                organooxygen compound 19167
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      carbohydrate derivative 14279
                                        glycosyl compound 13050
                                          glycoside 11831
                                            glycosiduronic acid 195
                                              glucosiduronic acid 195
                                                beta-D-glucosiduronic acid 47
                                                  16alpha-hydroxyestrone 3-O-(beta-D-glucuronide) 0
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