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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:2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide)
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Accession:CHEBI:36491 term browser browse the term
Definition:A steroid glucosiduronic acid that is 2-methoxy-17beta-estradiol having a single beta-D-glucuronic acid residue attached at position 3.
Synonyms:exact_synonym: 17beta-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
 related_synonym: (17beta)-17-hydroxy-2-methoxyestra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid;   2-MeOE2 3G;   2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronic acid);   2-methoxy-17beta-estradiol 3-O-glucuronide;   2-methoxy-17beta-estradiol 3-beta-D-glucuronide;   2-methoxy-17beta-estradiol 3-beta-glucuronide;   2-methoxy-17beta-estradiol 3-glucosiduronic acid;   2-methoxy-17beta-estradiol 3-glucuronide;   2-methoxyestradiol 3-glucuronide;   Formula=C25H34O9;   InChI=1S/C25H34O9/c1-25-8-7-12-13(15(25)5-6-18(25)26)4-3-11-9-17(16(32-2)10-14(11)12)33-24-21(29)19(27)20(28)22(34-24)23(30)31/h9-10,12-13,15,18-22,24,26-29H,3-8H2,1-2H3,(H,30,31)/t12-,13+,15-,18-,19-,20-,21+,22-,24+,25-/m0/s1;   InChIKey=LLCPFVIBUZJITJ-GVEMAFOVSA-N;   SMILES=C1[C@]2([C@]3([C@@](C4=C(C=C(O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C(=C4)OC)CC3)(CC[C@@]2([C@@H](O)C1)C)[H])[H])[H]
 alt_id: CHEBI:1186;   CHEBI:19674
 xref: HMDB:HMDB0006765;   KEGG:C11131;   LIPID_MAPS_instance:LMST05010009;   PMID:15472229;   Reaxys:20544762
 cyclic_relationship: is_conjugate_acid_of CHEBI:136974


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Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      biological role 19805
        biochemical role 19515
          metabolite 19502
            2-methoxy-17beta-estradiol 55
              2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      carbon group element atom 19728
                        carbon atom 19724
                          organic molecular entity 19724
                            heteroorganic entity 19477
                              organochalcogen compound 19240
                                organooxygen compound 19155
                                  carbohydrates and carbohydrate derivatives 15289
                                    carbohydrate 15289
                                      carbohydrate derivative 14294
                                        glycosyl compound 13051
                                          glycoside 11832
                                            glycosiduronic acid 190
                                              glucosiduronic acid 190
                                                beta-D-glucosiduronic acid 47
                                                  2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
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