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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:estropipate
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Accession:CHEBI:4873 term browser browse the term
Synonyms:related_synonym: Formula=C18H22O5S.C4H10N2;   Formula=C22H32N2O5S;   InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1;   InChIKey=HZEQBCVBILBTEP-ZFINNJDLSA-N;   Piperazine estrone sulfate;   SMILES=[C@@]12([C@@](C3=C(C=C(OS(=O)(=O)O)C=C3)CC1)(CC[C@]4([C@]2(CCC4=O)[H])C)[H])[H].C1CNCCN1
 xref: CAS:7280-37-7;   KEGG:D00948
 xref_mesh: MESH:C009927


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19831
    role 19807
      application 19650
        pharmaceutical 19491
          drug 19491
            antineoplastic agent 17757
              estrone 127
                estropipate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    p-block element atom 19779
                      chalcogen 19534
                        oxygen atom 19509
                          oxygen molecular entity 19509
                            hydroxides 19320
                              oxoacid 18744
                                chalcogen oxoacid 13770
                                  sulfur oxoacid 13558
                                    sulfuric acid 8242
                                      sulfuric acid derivative 8242
                                        sulfates 8237
                                          organic sulfate 2275
                                            steroid sulfate 63
                                              estropipate 0
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