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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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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19786
    role 19732
      application 19423
        pharmaceutical 19321
          drug 19321
            antineoplastic agent 17310
              estrone 127
                estropipate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19786
    subatomic particle 19784
      composite particle 19784
        hadron 19784
          baryon 19784
            nucleon 19784
              atomic nucleus 19784
                atom 19784
                  main group element atom 19675
                    p-block element atom 19675
                      chalcogen 19413
                        oxygen atom 19378
                          oxygen molecular entity 19378
                            hydroxides 19103
                              oxoacid 18350
                                chalcogen oxoacid 11503
                                  sulfur oxoacid 11111
                                    sulfuric acid 8021
                                      sulfuric acid derivative 8021
                                        sulfates 8017
                                          organic sulfate 1946
                                            steroid sulfate 61
                                              estropipate 0
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