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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:17-epiestriol 3-O-(beta-D-glucuronide)
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Accession:CHEBI:137701 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 3.
Synonyms:exact_synonym: 16alpha,17alpha-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid
 related_synonym: (16alpha,17alpha)-16,17-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid;   16alpha,17alpha-estriol 3-O-(beta-D-glucuronate);   Formula=C24H32O9;   InChI=1S/C24H32O9/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/h3,5,8,13-21,23,25-29H,2,4,6-7,9H2,1H3,(H,30,31)/t13-,14-,15+,16-,17+,18+,19-,20+,21-,23-,24+/m1/s1;   InChIKey=UZKIAJMSMKLBQE-PHEYUCJMSA-N;   SMILES=C1=C2C(CC[C@]3([C@@]4(C[C@H]([C@H]([C@]4(CC[C@@]32[H])C)O)O)[H])[H])=CC(=C1)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)O)C(O)=O
 xref: PMID:23288867;   Reaxys:23416853
 cyclic_relationship: is_conjugate_acid_of CHEBI:136882


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  CHEBI ontology 226
    role 226
      biological role 226
        pharmacological role 147
          agonist 87
            estrogen receptor agonist 0
              17-epiestriol 0
                17-epiestriol 3-O-(beta-D-glucuronide) 0
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  CHEBI ontology 226
    subatomic particle 226
      composite particle 226
        hadron 226
          baryon 226
            nucleon 226
              atomic nucleus 226
                atom 226
                  main group element atom 219
                    p-block element atom 219
                      carbon group element atom 208
                        carbon atom 207
                          organic molecular entity 207
                            heteroorganic entity 201
                              organochalcogen compound 170
                                organooxygen compound 169
                                  carbohydrates and carbohydrate derivatives 38
                                    carbohydrate 38
                                      carbohydrate derivative 33
                                        glycosyl compound 29
                                          glycoside 24
                                            glycosiduronic acid 1
                                              glucosiduronic acid 1
                                                beta-D-glucosiduronic acid 0
                                                  17-epiestriol 3-O-(beta-D-glucuronide) 0
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