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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:3-(allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol
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Accession:CHEBI:79756 term browser browse the term
Definition:A 16alpha-hydroxy steroid that is estriol in which the hydroxy group at position 3 is replaced by an allyloxy group.
Synonyms:exact_synonym: 3-(prop-2-en-1-yloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol
 related_synonym: 3-(2-Propenyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol;   3-Allyloxyestriol;   Formula=C21H28O3;   InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19-,20+,21+/m1/s1;   InChIKey=GVKVGOGUDSJCLX-YQPXSLGVSA-N;   SMILES=C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
 xref: CAS:10448-94-9;   KEGG:C15254;   Reaxys:21856571


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  CHEBI ontology 19801
    role 19747
      biological role 19746
        molecular messenger 18283
          hormone 18034
            sex hormone 17916
              estrogen 17853
                estriol 125
                  3-(allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19801
    subatomic particle 19797
      composite particle 19797
        hadron 19797
          baryon 19797
            nucleon 19797
              atomic nucleus 19797
                atom 19797
                  main group element atom 19684
                    p-block element atom 19684
                      carbon group element atom 19583
                        carbon atom 19572
                          organic molecular entity 19572
                            organic molecule 19494
                              organic cyclic compound 19264
                                organic polycyclic compound 16401
                                  steroid 12805
                                    hydroxy steroid 12384
                                      16-hydroxy steroid 162
                                        16alpha-hydroxy steroid 158
                                          estriol 125
                                            3-(allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol 0
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