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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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Term Annotations click to browse term
  CHEBI ontology 24381
    role 24291
      biological role 24258
        pharmacological role 21137
          agonist 19124
            estrogen receptor agonist 235
              17-epiestriol 0
                17-epiestriol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24381
    subatomic particle 24338
      composite particle 24338
        hadron 24338
          baryon 24338
            nucleon 24338
              atomic nucleus 24338
                atom 24338
                  main group element atom 24185
                    p-block element atom 24185
                      carbon group element atom 23965
                        carbon atom 23925
                          organic molecular entity 23925
                            heteroorganic entity 23275
                              organochalcogen compound 22771
                                organooxygen compound 22608
                                  carbohydrates and carbohydrate derivatives 13072
                                    carbohydrate 13072
                                      carbohydrate derivative 12693
                                        glycosyl compound 11729
                                          glycoside 9805
                                            glycosiduronic acid 145
                                              glucosiduronic acid 145
                                                beta-D-glucosiduronic acid 48
                                                  17-epiestriol 3-O-(beta-D-glucuronide) 0
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