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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-hydroxyestrone 2-O-(beta-D-glucuronide)
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Accession:CHEBI:137957 term browser browse the term
Definition:A steroid glucosiduronic acid that is 2-hydroxyestrone having a single beta-D-glucuronic acid residue attached at position 2.
Synonyms:exact_synonym: 3-hydroxy-17-oxoestra-1,3,5(10)-trien-2-yl beta-D-glucopyranosiduronic acid
 related_synonym: 2-OHE1 2G;   2-hydroxyestrone 2-O-glucuronide;   2-hydroxyestrone 2-beta-D-glucuronide;   2-hydroxyestrone 2-beta-glucuronide;   2-hydroxyestrone 2-glucuronide;   Formula=C24H30O9;   InChI=1S/C24H30O9/c1-24-7-6-11-12(14(24)4-5-17(24)26)3-2-10-8-15(25)16(9-13(10)11)32-23-20(29)18(27)19(28)21(33-23)22(30)31/h8-9,11-12,14,18-21,23,25,27-29H,2-7H2,1H3,(H,30,31)/t11-,12+,14-,18-,19-,20+,21-,23+,24-/m0/s1;   InChIKey=DQNRWYSYNOPGQY-FKYASPJISA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C=C(O)C(=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)CC3)(CC[C@@]2(C(=O)C1)C)[H])[H])[H];   estrone 2-O-(beta-D-glucuronic acid)
 xref: PMID:15472229;   Reaxys:11305843
 cyclic_relationship: is_conjugate_acid_of CHEBI:136968


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19785
    role 19732
      application 19391
        pharmaceutical 19272
          drug 19272
            antineoplastic agent 16982
              estrone 125
                2-hydroxyestrone 9
                  2-hydroxyestrone 2-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19785
    subatomic particle 19782
      composite particle 19782
        hadron 19782
          baryon 19782
            nucleon 19782
              atomic nucleus 19782
                atom 19782
                  main group element atom 19670
                    p-block element atom 19670
                      carbon group element atom 19572
                        carbon atom 19561
                          organic molecular entity 19561
                            heteroorganic entity 19147
                              organochalcogen compound 18855
                                organooxygen compound 18777
                                  carbohydrates and carbohydrate derivatives 12178
                                    carbohydrate 12178
                                      carbohydrate derivative 11802
                                        glycosyl compound 10846
                                          glycoside 9202
                                            glycosiduronic acid 139
                                              glucosiduronic acid 139
                                                beta-D-glucosiduronic acid 45
                                                  2-hydroxyestrone 2-O-(beta-D-glucuronide) 0
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