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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 phosphate
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Accession:CHEBI:68643 term browser browse the term
Definition:A steroid phosphate which is the 17-O-phospho derivative of estramustine.
Synonyms:exact_synonym: (17beta)-17-(phosphonooxy)estra-1(10),2,4-trien-3-yl bis(2-chloroethyl)carbamate
 related_synonym: Estracyt;   Formula=C23H32Cl2NO6P;   InChI=1S/C23H32Cl2NO6P/c1-23-9-8-18-17-5-3-16(31-22(27)26(12-10-24)13-11-25)14-15(17)2-4-19(18)20(23)6-7-21(23)32-33(28,29)30/h3,5,14,18-21H,2,4,6-13H2,1H3,(H2,28,29,30)/t18-,19-,20+,21+,23+/m1/s1;   InChIKey=ADFOJJHRTBFFOF-RBRWEJTLSA-N;   SMILES=[H][C@]12CC[C@]3(C)[C@H](CC[C@@]3([H])[C@]1([H])CCc1cc(OC(=O)N(CCCl)CCCl)ccc21)OP(O)(O)=O
 xref: CAS:4891-15-0;   Drug_Central:1066;   PMID:21706123;   PMID:22214417;   PMID:22323054;   Reaxys:10313873
 cyclic_relationship: is_conjugate_acid_of CHEBI:68644


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19771
    role 19716
      application 19406
        pharmaceutical 19304
          drug 19304
            antineoplastic agent 17259
              estramustine 3
                estramustine phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19771
    subatomic particle 19770
      composite particle 19770
        hadron 19770
          baryon 19770
            nucleon 19770
              atomic nucleus 19770
                atom 19770
                  main group element atom 19658
                    p-block element atom 19658
                      chalcogen 19387
                        oxygen atom 19350
                          oxygen molecular entity 19350
                            hydroxides 19076
                              oxoacid 18275
                                pnictogen oxoacid 10312
                                  phosphorus oxoacid 9234
                                    phosphoric acids 7954
                                      phosphoric acid 7954
                                        phosphoric acid derivative 7634
                                          phosphate 7634
                                            organic phosphate 7633
                                              steroid phosphate 10
                                                estramustine phosphate 0
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