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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 499
    role 499
      application 457
        pharmaceutical 451
          drug 451
            antineoplastic agent 324
              estramustine 0
                estramustine phosphate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 499
    subatomic particle 499
      composite particle 499
        hadron 499
          baryon 499
            nucleon 499
              atomic nucleus 499
                atom 499
                  main group element atom 492
                    p-block element atom 492
                      chalcogen 450
                        oxygen atom 448
                          oxygen molecular entity 448
                            hydroxides 423
                              oxoacid 378
                                pnictogen oxoacid 14
                                  phosphorus oxoacid 9
                                    phosphoric acids 9
                                      phosphoric acid 9
                                        phosphoric acid derivative 8
                                          phosphate 8
                                            organic phosphate 8
                                              steroid phosphate 0
                                                estramustine phosphate 0
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