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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:4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide)
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Accession:CHEBI:137911 term browser browse the term
Definition:A steroid glucosiduronic acid that is 4-hydroxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 3.
Synonyms:exact_synonym: 4,17beta-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid
 related_synonym: (17beta)-4,17-dihydroxyestra-1(10),2,4-trien-3-yl beta-D-glucopyranosiduronic acid;   4-OHE2 3G;   4-hydroxy-17beta-estradiol 3-(beta-D-glucuronide);   4-hydroxy-17beta-estradiol 3-beta-glucuronide;   4-hydroxy-17beta-estradiol 3-glucuronide;   4-hydroxyestradiol 3-glucuronide;   Formula=C24H32O9;   InChI=1S/C24H32O9/c1-24-9-8-11-10-4-6-15(32-23-20(29)18(27)19(28)21(33-23)22(30)31)17(26)13(10)3-2-12(11)14(24)5-7-16(24)25/h4,6,11-12,14,16,18-21,23,25-29H,2-3,5,7-9H2,1H3,(H,30,31)/t11-,12-,14+,16+,18+,19+,20-,21+,23-,24+/m1/s1;   InChIKey=HGCOILRQOIIUJW-ICTMVFLBSA-N;   SMILES=[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)OC=2C(=C3C([C@]4(CC[C@]5([C@]([C@@]4(CC3)[H])(CC[C@@H]5O)[H])C)[H])=CC2)O)O)O)O)C(=O)O
 xref: PMID:15472229;   Reaxys:24400664
 cyclic_relationship: is_conjugate_acid_of CHEBI:136936


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19801
    role 19747
      biological role 19746
        biochemical role 19251
          metabolite 19228
            4-hydroxy-17beta-estradiol 27
              4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            heteroorganic entity 19176
                              organochalcogen compound 18884
                                organooxygen compound 18805
                                  carbohydrates and carbohydrate derivatives 12184
                                    carbohydrate 12184
                                      carbohydrate derivative 11805
                                        glycosyl compound 10847
                                          glycoside 9207
                                            glycosiduronic acid 137
                                              glucosiduronic acid 137
                                                beta-D-glucosiduronic acid 46
                                                  4-hydroxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
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