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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:estramustine
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Accession:CHEBI:4868 term browser browse the term
Definition:A carbamate ester obtained by the formal condensation of the hydroxy group of 17beta-estradiol with the carboxy group of bis(2-chloroethyl)carbamic acid.
Synonyms:exact_synonym: (17beta)-17-hydroxyestra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate
 related_synonym: 17beta-Estradiol 3-(bis(2-chloroethyl)carbamate);   Estradiol 3-(N,N-bis(2-chloroethyl)carbamate);   Formula=C23H31Cl2NO3;   InChI=1S/C23H31Cl2NO3/c1-23-9-8-18-17-5-3-16(29-22(28)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)27/h3,5,14,18-21,27H,2,4,6-13H2,1H3/t18-,19-,20+,21+,23+/m1/s1;   InChIKey=FRPJXPJMRWBBIH-RBRWEJTLSA-N;   SMILES=[H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21;   estramustina;   estramustinum
 xref: CAS:2998-57-4;   DrugBank:DB01196;   Drug_Central:1065;   HMDB:HMDB0015327;   KEGG:C11228;   KEGG:D04066;   LIPID_MAPS_instance:LMST02010038
 xref_mesh: MESH:D004961
 xref: PMID:11131983;   PMID:15762353;   PMID:7638085;   Patent:BE646319;   Patent:US3299104;   Reaxys:5637599;   Wikipedia:Estramustine


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estramustine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bcl2 BCL2, apoptosis regulator increases phosphorylation ISO Estramustine results in increased phosphorylation of BCL2 protein CTD PMID:11763419 NCBI chr13:22,689,783...22,853,920
Ensembl chr13:22,684,989...22,853,743
Ensembl chr13:22,684,989...22,853,743 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions ISO Estramustine inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of CYP1A1 mRNA] CTD PMID:11602686 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125 		JBrowse link
G Krt18 keratin 18 increases expression ISO Estramustine results in increased expression of KRT18 protein CTD PMID:16685278 NCBI chr 7:133,157,486...133,161,162
Ensembl chr 7:133,157,475...133,161,166
Ensembl chr10:133,157,475...133,161,166 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19880
    role 19850
      application 19695
        pharmaceutical 19532
          drug 19532
            antineoplastic agent 17823
              estramustine 3
                estramustine phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19880
    subatomic particle 19878
      composite particle 19878
        hadron 19878
          baryon 19878
            nucleon 19878
              atomic nucleus 19878
                atom 19878
                  main group element atom 19817
                    p-block element atom 19817
                      carbon group element atom 19757
                        carbon atom 19754
                          organic molecular entity 19754
                            organic molecule 19706
                              organic cyclic compound 19495
                                organic polycyclic compound 17291
                                  steroid 14716
                                    hydroxy steroid 14466
                                      3-hydroxy steroid 12807
                                        phenolic steroid 11312
                                          estradiol 11308
                                            17beta-estradiol 11308
                                              estramustine 3
                                                estramustine phosphate 0
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