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ONTOLOGY REPORT - ANNOTATIONS


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 JBrowse Chr Start Stop Reference
G Bcl2 BCL2, apoptosis regulator JBrowse link 13 26,605,426 26,769,374 RGD:6480464
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 JBrowse link 8 62,472,087 62,478,122 RGD:6480464
G Krt18 keratin 18 JBrowse link 7 143,629,455 143,633,131 RGD:6480464

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    role 19717
      application 19366
        pharmaceutical 19236
          drug 19236
            antineoplastic agent 16900
              estramustine 3
                estramustine phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19548
                        carbon atom 19537
                          organic molecular entity 19537
                            organic molecule 19456
                              organic cyclic compound 19213
                                organic polycyclic compound 16049
                                  steroid 12805
                                    steroid fundamental parent 12420
                                      estrane 9649
                                        estradiol 9491
                                          17beta-estradiol 9491
                                            estramustine 3
                                              estramustine phosphate 0
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RGD is funded by grant HL64541 from the National Heart, Lung, and Blood Institute on behalf of the NIH.