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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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  CHEBI ontology 19810
    role 19759
      application 19468
        fuel 11017
          methanol 3858
            methyl ester 3830
              clopidogrel 64
                clopidogrel sulfate 0
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  CHEBI ontology 19810
    subatomic particle 19809
      composite particle 19809
        hadron 19809
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19706
                    p-block element atom 19706
                      chalcogen 19458
                        oxygen atom 19434
                          oxygen molecular entity 19434
                            hydroxides 19171
                              oxoacid 18489
                                chalcogen oxoacid 11492
                                  sulfur oxoacid 11100
                                    sulfuric acid 8013
                                      sulfuric acid derivative 8013
                                        sulfates 8009
                                          sulfate salt 7063
                                            organic sulfate salt 165
                                              organoammonium sulfate salt 119
                                                azaheterocycle sulfate salt 4
                                                  clopidogrel sulfate 0
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