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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


show annotations for term's descendants           Sort by:
estramustine term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Bcl2 B cell leukemia/lymphoma 2 increases phosphorylation ISO Estramustine results in increased phosphorylation of BCL2 protein CTD PMID:11763419 NCBI chr 1:106,465,906...106,642,020
Ensembl chr 1:106,465,908...106,642,004 		JBrowse link
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 multiple interactions EXP Estramustine inhibits the reaction [Tetrachlorodibenzodioxin results in increased expression of CYP1A1 mRNA] CTD PMID:11602686 NCBI chr 9:57,595,211...57,611,107
Ensembl chr 9:57,595,211...57,611,107 		JBrowse link
G Krt18 keratin 18 increases expression ISO Estramustine results in increased expression of KRT18 protein CTD PMID:16685278 NCBI chr15:101,936,651...101,940,461
Ensembl chr15:101,936,615...101,940,462 		JBrowse link
Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    role 22194
      application 21744
        pharmaceutical 21187
          drug 21159
            antineoplastic agent 18896
              estramustine 3
                estramustine phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    p-block element atom 22104
                      carbon group element atom 21904
                        carbon atom 21859
                          organic molecular entity 21830
                            organic molecule 21647
                              organic cyclic compound 21252
                                organic polycyclic compound 17940
                                  steroid 14869
                                    hydroxy steroid 14604
                                      3-hydroxy steroid 12890
                                        phenolic steroid 11282
                                          estradiol 11276
                                            17beta-estradiol 11276
                                              estramustine 3
                                                estramustine phosphate 0
paths to the root