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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
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Accession:CHEBI:42156 term browser browse the term
Definition:A 16alpha-hydroxy steroid that is estriol in which the hydroxy group at position 17 has been epimersied from beta- to alpha- configuration. It is a metabolite of estradiol and a selective estrogen receptor beta (ER-beta) agonist.
Synonyms:exact_synonym: estra-1(10),2,4-triene-3,16alpha,17alpha-triol
 related_synonym: (16alpha,17alpha)-estra-1(10),2,4-triene-3,16,17-triol;   (8R,9S,13S,14S,16R,17S)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,16,17-triol;   1,3,5(10)-estratriene-3,16alpha,17alpha-triol;   16alpha,17alpha-estriol;   16alpha-hydroxy-17alpha-estradiol;   17alpha-estriol;   3,16alpha,17alpha-trihydroxy-1,3,5(10)-estratriene;   Formula=C18H24O3;   InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17-,18+/m1/s1;   InChIKey=PROQIPRRNZUXQM-PNVOZDDCSA-N;   SMILES=C12=CC=C(C=C1CC[C@@]3([C@@]2(CC[C@]4([C@]3(C[C@H]([C@H]4O)O)[H])C)[H])[H])O
 xref: CAS:1228-72-4;   HMDB:HMDB0000356;   LIPID_MAPS_instance:LMST02010049;   PDBeChem:E3O;   PMID:12547825;   PMID:23288867;   PMID:26063478;   PMID:26104910;   PMID:26180245;   PMID:26460631;   PMID:28072767;   Reaxys:2622737;   Wikipedia:17-epiestriol


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        pharmacological role 19030
          agonist 18607
            estrogen receptor agonist 1186
              17-epiestriol 0
                17-epiestriol 16-O-(beta-D-glucuronide) 0
                17-epiestriol 17-O-(beta-D-glucuronide) 0
                17-epiestriol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            organic molecule 19658
                              organic cyclic compound 19471
                                organic polycyclic compound 17244
                                  steroid 14672
                                    hydroxy steroid 14419
                                      16-hydroxy steroid 158
                                        16alpha-hydroxy steroid 153
                                          17-epiestriol 0
                                            17-epiestriol 16-O-(beta-D-glucuronide) 0
                                            17-epiestriol 17-O-(beta-D-glucuronide) 0
                                            17-epiestriol 3-O-(beta-D-glucuronide) 0
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