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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 26506
        role 26329
          application 25595
            pharmaceutical 25015
              drug 25012
                protective agent 20816
                  geroprotector 19094
                    17beta-estradiol 11797
                      11beta-hydroxy-17beta-estradiol 0
                      15alpha-hydroxyestradiol 0
                      16beta-hydroxyestradiol + 0
                      17alpha-ethynylestradiol + 5300
                      17beta-estradiol 17-glucosiduronic acid 24
                      17beta-estradiol 17-sulfate 0
                      17beta-estradiol 3-O-carboxymethyl ether 0
                      17beta-estradiol 3-benzoate 1059
                      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 + 26
                      2-hydroxyestradiol 3-methyl ether 0
                      2-methoxy-17beta-estradiol + 59
                      2-methoxy-17beta-estradiol 3-sulfate 0
                      4-hydroxy-17beta-estradiol + 34
                      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 70
                      estramustine + 3
                      mestranol 69
                      quinestrol 0
    Path 2
    Term Annotations click to browse term
      CHEBI ontology 26506
        subatomic particle 26482
          composite particle 26482
            hadron 26482
              baryon 26482
                nucleon 26482
                  atomic nucleus 26482
                    atom 26482
                      main group element atom 26220
                        p-block element atom 26220
                          carbon group element atom 25665
                            carbon atom 25627
                              organic molecular entity 25627
                                organic molecule 25371
                                  organic cyclic compound 24429
                                    organic polycyclic compound 19011
                                      steroid 15911
                                        hydroxy steroid 15589
                                          3-hydroxy steroid 13580
                                            phenolic steroid 11803
                                              estradiol 11797
                                                17beta-estradiol 11797
                                                  11beta-hydroxy-17beta-estradiol 0
                                                  15alpha-hydroxyestradiol 0
                                                  16beta-hydroxyestradiol + 0
                                                  17alpha-ethynylestradiol + 5300
                                                  17beta-estradiol 17-glucosiduronic acid 24
                                                  17beta-estradiol 17-sulfate 0
                                                  17beta-estradiol 3-O-carboxymethyl ether 0
                                                  17beta-estradiol 3-benzoate 1059
                                                  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 + 26
                                                  2-hydroxyestradiol 3-methyl ether 0
                                                  2-methoxy-17beta-estradiol + 59
                                                  2-methoxy-17beta-estradiol 3-sulfate 0
                                                  4-hydroxy-17beta-estradiol + 34
                                                  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 70
                                                  estramustine + 3
                                                  mestranol 69
                                                  quinestrol 0
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