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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:clopidogrel sulfate
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Accession:CHEBI:3759 term browser browse the term
Definition:An organoammonium sulfate salt that has formula C16H18ClNO6S2.
Synonyms:exact_synonym: 5-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium hydrogen sulfate
 related_synonym: Clopidogrel bisulfate;   Clopidogrel hemisulfate;   Clopidogrel hydrogen sulfate;   Formula=C16H16ClNO2S.H2SO4;   Formula=C16H18ClNO6S2;   InChI=1S/C16H16ClNO2S.H2O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-5(2,3)4/h2-5,7,9,15H,6,8,10H2,1H3;(H2,1,2,3,4)/t15-;/m0./s1;   InChIKey=FDEODCTUSIWGLK-RSAXXLAASA-N;   Plavix;   SMILES=[H+].OS([O-])(=O)=O.COC(=O)[C@@H](N1CCc2sccc2C1)c1ccccc1Cl
 xref: Beilstein:9967887;   CAS:120202-66-6;   DrugBank:DB00758;   KEGG:D00769


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Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      application 19426
        fuel 10814
          methanol 3072
            methyl ester 3061
              clopidogrel 63
                clopidogrel sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      chalcogen 19399
                        oxygen atom 19361
                          oxygen molecular entity 19361
                            hydroxides 19107
                              oxoacid 18241
                                chalcogen oxoacid 11491
                                  sulfur oxoacid 11095
                                    sulfuric acid 8013
                                      sulfuric acid derivative 8013
                                        sulfates 8010
                                          sulfate salt 7064
                                            organic sulfate salt 164
                                              organoammonium sulfate salt 119
                                                azaheterocycle sulfate salt 4
                                                  clopidogrel sulfate 0
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