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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:2-hydroxyestradiol 3-methyl ether
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Accession:CHEBI:89268 term browser browse the term
Definition:A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 2 has been replaced by a hydroxy group and the phenolic hydrogen at position 3 has bee replaced by a methyl group.
Synonyms:exact_synonym: 3-methoxyestra-1(10),2,4-triene-2,17beta-diol
 related_synonym: (17beta)-3-methoxyestra-1(10),2,4-triene-2,17-diol;   2,3,17beta-trihydroxy-1,3,5[10]-estratriene 2-methyl ether;   2-hydroxy-3-methoxy-17beta-estradiol;   3,17beta-dihydroxy-2-methoxy-1,3,5[10]-estratriene;   3-Methoxy-1,3,5[10]-estratriene-2,17beta-diol;   3-O-Methyl-2-hydroxyestradiol;   Formula=C19H26O3;   InChI=1S/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-17(22-2)16(20)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3/t12-,13+,15-,18-,19-/m0/s1;   InChIKey=MMKYSUOJWFKECQ-SSTWWWIQSA-N;   SMILES=C1=C2C(CC[C@]3([C@@]4(CC[C@@H]([C@]4(CC[C@@]32[H])C)O)[H])[H])=CC(=C1O)OC
 xref: CAS:5976-65-8;   HMDB:HMDB0000380;   LIPID_MAPS_instance:LMST02010051;   PMID:11172156;   PMID:20606002;   PMID:6252315;   PMID:966757;   Reaxys:5753020


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19810
    role 19758
      biological role 19758
        molecular messenger 18275
          hormone 18027
            sex hormone 17908
              estrogen 17847
                17beta-estradiol 9491
                  2-hydroxyestradiol 3-methyl ether 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19810
    subatomic particle 19808
      composite particle 19808
        hadron 19808
          baryon 19808
            nucleon 19808
              atomic nucleus 19808
                atom 19808
                  main group element atom 19696
                    p-block element atom 19696
                      carbon group element atom 19599
                        carbon atom 19588
                          organic molecular entity 19588
                            organic molecule 19514
                              organic cyclic compound 19311
                                organic polycyclic compound 16393
                                  steroid 12793
                                    steroid fundamental parent 12407
                                      estrane 9651
                                        estradiol 9491
                                          17beta-estradiol 9491
                                            2-hydroxyestradiol 3-methyl ether 0
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