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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 19751
        role 19724
          application 19557
            pharmaceutical 19440
              drug 19440
                protective agent 18067
                  geroprotector 17258
                    17beta-estradiol 10622
                      11beta-hydroxy-17beta-estradiol 0
                      15alpha-hydroxyestradiol 0
                      16beta-hydroxyestradiol + 0
                      17alpha-ethynylestradiol + 5258
                      17beta-estradiol 17-glucosiduronic acid 23
                      17beta-estradiol 17-sulfate 0
                      17beta-estradiol 3-O-carboxymethyl ether 0
                      17beta-estradiol 3-benzoate 1124
                      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 + 50
                      2-methoxy-17beta-estradiol 3-sulfate 0
                      4-hydroxy-17beta-estradiol + 29
                      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 12
                      U-73122 66
                      estramustine + 3
                      mestranol 56
                      quinestrol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 19751
        subatomic particle 19749
          composite particle 19749
            hadron 19749
              baryon 19749
                nucleon 19749
                  atomic nucleus 19749
                    atom 19749
                      main group element atom 19698
                        p-block element atom 19698
                          carbon group element atom 19644
                            carbon atom 19640
                              organic molecular entity 19640
                                organic molecule 19602
                                  organic cyclic compound 19412
                                    organic polycyclic compound 17181
                                      steroid 14390
                                        hydroxy steroid 14108
                                          3-hydroxy steroid 12188
                                            phenolic steroid 10627
                                              estradiol 10622
                                                17beta-estradiol 10622
                                                  11beta-hydroxy-17beta-estradiol 0
                                                  15alpha-hydroxyestradiol 0
                                                  16beta-hydroxyestradiol + 0
                                                  17alpha-ethynylestradiol + 5258
                                                  17beta-estradiol 17-glucosiduronic acid 23
                                                  17beta-estradiol 17-sulfate 0
                                                  17beta-estradiol 3-O-carboxymethyl ether 0
                                                  17beta-estradiol 3-benzoate 1124
                                                  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 + 50
                                                  2-methoxy-17beta-estradiol 3-sulfate 0
                                                  4-hydroxy-17beta-estradiol + 29
                                                  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 12
                                                  U-73122 66
                                                  estramustine + 3
                                                  mestranol 56
                                                  quinestrol 0
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