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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 22188
    role 22173
      application 21755
        fuel 11473
          methanol 3990
            methyl ester 3925
              clopidogrel 70
                clopidogrel sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22188
    subatomic particle 22180
      composite particle 22180
        hadron 22180
          baryon 22180
            nucleon 22180
              atomic nucleus 22180
                atom 22180
                  main group element atom 22114
                    p-block element atom 22114
                      chalcogen 21436
                        oxygen atom 21414
                          oxygen molecular entity 21414
                            hydroxides 20789
                              oxoacid 20084
                                chalcogen oxoacid 14380
                                  sulfur oxoacid 14165
                                    sulfuric acid 8517
                                      sulfuric acid derivative 8517
                                        sulfates 8512
                                          sulfate salt 7158
                                            organic sulfate salt 218
                                              organoammonium sulfate salt 115
                                                azaheterocycle sulfate salt 4
                                                  clopidogrel sulfate 0
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