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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: 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 19887
        role 19858
          application 19697
            pharmaceutical 19534
              drug 19534
                protective agent 18256
                  geroprotector 17431
                    17beta-estradiol 12487
                      11beta-hydroxy-17beta-estradiol 0
                      15alpha-hydroxyestradiol 0
                      16beta-hydroxyestradiol + 0
                      17alpha-ethynylestradiol + 5310
                      17beta-estradiol 17-glucosiduronic acid 23
                      17beta-estradiol 17-sulfate 0
                      17beta-estradiol 3-O-carboxymethyl ether 0
                      17beta-estradiol 3-benzoate 1116
                      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 19887
        subatomic particle 19885
          composite particle 19885
            hadron 19885
              baryon 19885
                nucleon 19885
                  atomic nucleus 19885
                    atom 19885
                      main group element atom 19824
                        p-block element atom 19824
                          carbon group element atom 19763
                            carbon atom 19760
                              organic molecular entity 19760
                                organic molecule 19713
                                  organic cyclic compound 19505
                                    organic polycyclic compound 17327
                                      steroid 15151
                                        hydroxy steroid 14975
                                          3-hydroxy steroid 13658
                                            phenolic steroid 12491
                                              estradiol 12487
                                                17beta-estradiol 12487
                                                  11beta-hydroxy-17beta-estradiol 0
                                                  15alpha-hydroxyestradiol 0
                                                  16beta-hydroxyestradiol + 0
                                                  17alpha-ethynylestradiol + 5310
                                                  17beta-estradiol 17-glucosiduronic acid 23
                                                  17beta-estradiol 17-sulfate 0
                                                  17beta-estradiol 3-O-carboxymethyl ether 0
                                                  17beta-estradiol 3-benzoate 1116
                                                  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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