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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 paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19792
    role 19738
      biological role 19737
        biochemical role 19241
          metabolite 19218
            2-methoxy-17beta-estradiol 49
              2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19792
    subatomic particle 19788
      composite particle 19788
        hadron 19788
          baryon 19788
            nucleon 19788
              atomic nucleus 19788
                atom 19788
                  main group element atom 19675
                    p-block element atom 19675
                      carbon group element atom 19571
                        carbon atom 19560
                          organic molecular entity 19560
                            heteroorganic entity 19165
                              organochalcogen compound 18873
                                organooxygen compound 18795
                                  carbohydrates and carbohydrate derivatives 12193
                                    carbohydrate 12193
                                      carbohydrate derivative 11814
                                        glycosyl compound 10854
                                          glycoside 9213
                                            glycosiduronic acid 137
                                              glucosiduronic acid 137
                                                beta-D-glucosiduronic acid 46
                                                  2-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
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