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