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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:17beta-estradiol
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Accession:CHEBI:16469 term browser browse the term
Definition:The 17beta-isomer of estradiol.
Synonyms:exact_synonym: estra-1,3,5(10)-triene-3,17beta-diol
 related_synonym: 17beta oestradiol;   17beta-estra-1,3,5(10)-triene-3,17-diol;   Estradiol;   Formula=C18H24O2;   InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1;   InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N;   SMILES=[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(O)ccc21;   beta-Estradiol;   cis-estradiol
 alt_id: CHEBI:14219;   CHEBI:23963;   CHEBI:42475;   CHEBI:4864
 xref: Beilstein:1914275;   CAS:50-28-2;   Chemspider:5554;   DrugBank:DB00783;   Drug_Central:1057;   Gmelin:290805;   HMDB:HMDB0000151;   KEGG:C00951;   KEGG:D00105;   LINCS:LSM-2421;   LIPID_MAPS_instance:LMST02010001
 xref_mesh: MESH:D004958
 xref: PDBeChem:EST;   PMID:10438974;   PMID:10585175;   PMID:10843196;   PMID:11703424;   PMID:14681337;   PMID:16313478;   PMID:17124377;   PMID:1777462;   PMID:23901460;   PMID:24134630;   PMID:24449492;   PMID:3621671;   PMID:8098802;   PMID:8567793;   Reaxys:1914275;   Wikipedia:Estradiol


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    Path 1
    Term Annotations click to browse term
      CHEBI ontology 19922
        role 19894
          application 19735
            pharmaceutical 19543
              drug 19543
                protective agent 18275
                  geroprotector 17408
                    17beta-estradiol 11305
                      11beta-hydroxy-17beta-estradiol 0
                      15alpha-hydroxyestradiol 0
                      16beta-hydroxyestradiol + 0
                      17alpha-ethynylestradiol + 5308
                      17beta-estradiol 17-glucosiduronic acid 23
                      17beta-estradiol 17-sulfate 0
                      17beta-estradiol 3-O-carboxymethyl ether 0
                      17beta-estradiol 3-benzoate 1122
                      17beta-estradiol 3-glucosiduronic acid 2
                      17beta-estradiol 3-sulfate 0
                      17beta-estradiol 3-sulfate 17-(beta-D-glucosiduronic acid) 0
                      17beta-estradiol 6-O-(carboxymethyl)oxime 0
                      2-hydroxy-17beta-estradiol + 22
                      2-hydroxyestradiol 3-methyl ether 0
                      2-methoxy-17beta-estradiol + 56
                      2-methoxy-17beta-estradiol 3-sulfate 0
                      4-hydroxy-17beta-estradiol + 33
                      4-methoxy-17beta-estradiol + 1
                      6alpha-hydroxy-17beta-estradiol 0
                      6beta-[N-(carboxymethylamino)carbonyl]methoxy-17beta-estradiol 0
                      6beta-hydroxy-17beta-estradiol 0
                      7alpha-hydroxyestradiol 0
                      ICI-164384 13
                      U-73122 69
                      estramustine + 3
                      mestranol 69
                      quinestrol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19922
        subatomic particle 19892
          composite particle 19892
            hadron 19920
              baryon 19892
                nucleon 19920
                  atomic nucleus 19892
                    atom 19892
                      main group element atom 19866
                        p-block element atom 19866
                          carbon group element atom 19805
                            carbon atom 19802
                              organic molecular entity 19775
                                organic molecule 19755
                                  organic cyclic compound 19545
                                    organic polycyclic compound 17272
                                      steroid 14707
                                        hydroxy steroid 14456
                                          3-hydroxy steroid 12810
                                            phenolic steroid 11298
                                              estradiol 11305
                                                17beta-estradiol 11305
                                                  11beta-hydroxy-17beta-estradiol 0
                                                  15alpha-hydroxyestradiol 0
                                                  16beta-hydroxyestradiol + 0
                                                  17alpha-ethynylestradiol + 5308
                                                  17beta-estradiol 17-glucosiduronic acid 23
                                                  17beta-estradiol 17-sulfate 0
                                                  17beta-estradiol 3-O-carboxymethyl ether 0
                                                  17beta-estradiol 3-benzoate 1122
                                                  17beta-estradiol 3-glucosiduronic acid 2
                                                  17beta-estradiol 3-sulfate 0
                                                  17beta-estradiol 3-sulfate 17-(beta-D-glucosiduronic acid) 0
                                                  17beta-estradiol 6-O-(carboxymethyl)oxime 0
                                                  2-hydroxy-17beta-estradiol + 22
                                                  2-hydroxyestradiol 3-methyl ether 0
                                                  2-methoxy-17beta-estradiol + 56
                                                  2-methoxy-17beta-estradiol 3-sulfate 0
                                                  4-hydroxy-17beta-estradiol + 33
                                                  4-methoxy-17beta-estradiol + 1
                                                  6alpha-hydroxy-17beta-estradiol 0
                                                  6beta-[N-(carboxymethylamino)carbonyl]methoxy-17beta-estradiol 0
                                                  6beta-hydroxy-17beta-estradiol 0
                                                  7alpha-hydroxyestradiol 0
                                                  ICI-164384 13
                                                  U-73122 69
                                                  estramustine + 3
                                                  mestranol 69
                                                  quinestrol 0
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