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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 carboxylic acid
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Accession:CHEBI:83504 term browser browse the term
Definition:A thienopyridine that is 6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylacetic acid substituted by a 2-chlorophenyl group at position 2. It is a metabolite of the drug clopidogrel.
Synonyms:exact_synonym: (2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)acetic acid
 related_synonym: Formula=C15H14ClNO2S;   InChI=1S/C15H14ClNO2S/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13/h1-4,6,8,14H,5,7,9H2,(H,18,19);   InChIKey=DCASRSISIKYPDD-UHFFFAOYSA-N;   SMILES=OC(=O)C(N1CCc2sccc2C1)c1ccccc1Cl
 xref: PMID:19739245;   PMID:22706585;   PMID:24670351;   Reaxys:14366675


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Term Annotations click to browse term
  CHEBI ontology 5066
    role 5030
      application 869
        NMR chemical shift reference compound 421
          ammonia 393
            organic amino compound 286
              tertiary amino compound 69
                clopidogrel carboxylic acid 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5066
    subatomic particle 5057
      composite particle 5057
        hadron 5057
          baryon 5057
            nucleon 5057
              atomic nucleus 5057
                atom 5057
                  main group element atom 5026
                    main group molecular entity 5025
                      s-block molecular entity 4957
                        hydrogen molecular entity 4950
                          hydrides 4555
                            inorganic hydride 405
                              pnictogen hydride 401
                                nitrogen hydride 401
                                  azane 393
                                    ammonia 393
                                      organic amino compound 286
                                        tertiary amino compound 69
                                          clopidogrel carboxylic acid 0
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