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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:4-methoxy-17beta-estradiol
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Accession:CHEBI:136975 term browser browse the term
Definition:A 17beta-hydroxy steroid that is 17beta-estradiol in which the hydrogen at position 4 has been replaced by a methoxy group.
Synonyms:exact_synonym: 4-methoxyestra-1,3,5(10)-triene-3,17beta-diol
 related_synonym: (17beta)-4-methoxyestra-1,3,5(10)-triene-3,17-diol;   4-MeOE2;   4-Methoxy-3,17beta-dihydroxy-1,3,5[10]-estratriene;   4-Methoxyestradiol;   4-Methoxyestradiol-17beta;   Formula=C19H26O3;   InChI=1S/C19H26O3/c1-19-10-9-12-11-5-7-16(20)18(22-2)14(11)4-3-13(12)15(19)6-8-17(19)21/h5,7,12-13,15,17,20-21H,3-4,6,8-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1;   InChIKey=BCWZIZLVBYHFES-PYEWSWHRSA-N;   SMILES=C=1C=2[C@]3(CC[C@]4([C@]([C@@]3(CCC2C(=C(C1)O)OC)[H])(CC[C@@H]4O)[H])C)[H]
 xref: CAS:26788-23-8;   HMDB:HMDB0012782
 xref_mesh: MESH:C045018
 xref: PMID:10403516;   PMID:12810639;   PMID:14962508;   PMID:15472229;   PMID:17397890;   PMID:20823587;   PMID:21344307;   PMID:21561814;   PMID:22159223;   PMID:23319542;   PMID:23319543;   PMID:23757313;   PMID:25433128;   PMID:26180245;   PMID:26460631;   PMID:28219710;   Reaxys:5753018


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4-methoxy-17beta-estradiol term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 increases abundance
multiple interactions
ISO CYP1B1 protein results in increased abundance of 4-methoxyestradiol
Tetrachlorodibenzodioxin promotes the reaction [CYP1B1 protein results in increased abundance of 4-methoxyestradiol]; Tetradecanoylphorbol Acetate promotes the reaction [Tetrachlorodibenzodioxin promotes the reaction [CYP1B1 protein results in increased abundance of 4-methoxyestradiol]]
CTD PMID:9706865 NCBI chr 6:2,308,179...2,316,739
Ensembl chr 6:2,307,808...2,316,722
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        molecular messenger 18279
          hormone 18031
            sex hormone 17913
              estrogen 17851
                4-methoxy-17beta-estradiol 1
                  4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic molecule 19522
                              organic cyclic compound 19320
                                organic polycyclic compound 16395
                                  steroid 12800
                                    steroid fundamental parent 12413
                                      estrane 9654
                                        estradiol 9493
                                          17beta-estradiol 9493
                                            4-methoxy-17beta-estradiol 1
                                              4-methoxy-17beta-estradiol 3-O-(beta-D-glucuronide) 0
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