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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 21552
    role 21530
      biological role 21528
        pharmacological role 19362
          agonist 18651
            estrogen receptor agonist 233
              17-epiestriol 0
                17-epiestriol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21552
    subatomic particle 21537
      composite particle 21537
        hadron 21537
          baryon 21537
            nucleon 21537
              atomic nucleus 21537
                atom 21537
                  main group element atom 21442
                    p-block element atom 21442
                      carbon group element atom 21235
                        carbon atom 21133
                          organic molecular entity 21133
                            heteroorganic entity 20770
                              organochalcogen compound 19989
                                organooxygen compound 19910
                                  carbohydrates and carbohydrate derivatives 12807
                                    carbohydrate 12807
                                      carbohydrate derivative 12438
                                        glycosyl compound 11154
                                          glycoside 9385
                                            glycosiduronic acid 141
                                              glucosiduronic acid 141
                                                beta-D-glucosiduronic acid 44
                                                  17-epiestriol 3-O-(beta-D-glucuronide) 0
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