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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 0
    role 0
      biological role 0
        pharmacological role 0
          agonist 0
            estrogen receptor agonist 0
              17-epiestriol 0
                17-epiestriol 3-O-(beta-D-glucuronide) 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            heteroorganic entity 0
                              organochalcogen compound 0
                                organooxygen compound 0
                                  carbohydrates and carbohydrate derivatives 0
                                    carbohydrate 0
                                      carbohydrate derivative 0
                                        glycosyl compound 0
                                          glycoside 0
                                            glycosiduronic acid 0
                                              glucosiduronic acid 0
                                                beta-D-glucosiduronic acid 0
                                                  17-epiestriol 3-O-(beta-D-glucuronide) 0
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