Send us a Message



Submit Data |  Help |  Video Tutorials |  News |  Publications |  Download |  REST API |  Citing RGD |  Contact   

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
go back to main search page
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



show annotations for term's descendants           Sort by:

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      biological role 19848
        pharmacological role 19080
          agonist 18607
            estrogen receptor agonist 1187
              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 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            organic molecule 19706
                              organic cyclic compound 19495
                                organic polycyclic compound 17291
                                  steroid 14716
                                    hydroxy steroid 14466
                                      16-hydroxy steroid 158
                                        16alpha-hydroxy steroid 154
                                          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
paths to the root