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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: Beilstein:5637599;   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 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 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20050
    role 20001
      application 19737
        pharmaceutical 19610
          drug 19610
            antineoplastic agent 17485
              estramustine 3
                estramustine phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20050
    subatomic particle 20048
      composite particle 20048
        hadron 20048
          baryon 20048
            nucleon 20048
              atomic nucleus 20048
                atom 20048
                  main group element atom 19948
                    p-block element atom 19948
                      carbon group element atom 19872
                        carbon atom 19863
                          organic molecular entity 19863
                            organic molecule 19809
                              organic cyclic compound 19572
                                organic polycyclic compound 16967
                                  steroid 13376
                                    hydroxy steroid 13005
                                      3-hydroxy steroid 10393
                                        phenolic steroid 9903
                                          estradiol 9898
                                            17beta-estradiol 9898
                                              estramustine 3
                                                estramustine phosphate 0
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