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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 19770
    role 19720
      biological role 19720
        pharmacological role 18830
          agonist 18253
            estrogen receptor agonist 1176
              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 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            organic molecule 19504
                              organic cyclic compound 19331
                                organic polycyclic compound 16515
                                  steroid 13050
                                    hydroxy steroid 12649
                                      16-hydroxy steroid 162
                                        16alpha-hydroxy steroid 158
                                          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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