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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 19883
    role 19833
      biological role 19833
        pharmacological role 18881
          agonist 18255
            estrogen receptor agonist 239
              17-epiestriol 0
                17-epiestriol 3-O-(beta-D-glucuronide) 0
Path 2
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  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    p-block element atom 19771
                      carbon group element atom 19679
                        carbon atom 19668
                          organic molecular entity 19668
                            heteroorganic entity 19257
                              organochalcogen compound 18964
                                organooxygen compound 18886
                                  carbohydrates and carbohydrate derivatives 12267
                                    carbohydrate 12267
                                      carbohydrate derivative 11894
                                        glycosyl compound 10944
                                          glycoside 9226
                                            glycosiduronic acid 141
                                              glucosiduronic acid 141
                                                beta-D-glucosiduronic acid 47
                                                  17-epiestriol 3-O-(beta-D-glucuronide) 0
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