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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:vorapaxar(1+)
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Accession:CHEBI:83315 term browser browse the term
Definition:A pyridinium ion obtained by protonation of the pyridine nitrogen in vorapaxar.
Synonyms:exact_synonym: 2-[(E)-2-{(3R,3aS,4S,4aR,7R,8aR,9aR)-7-[(ethoxycarbonyl)amino]-3-methyl-1-oxododecahydronaphtho[2,3-c]furan-4-yl}ethenyl]-5-(3-fluorophenyl)pyridinium
 related_synonym: Formula=C29H34FN2O4;   InChI=1S/C29H33FN2O4/c1-3-35-29(34)32-23-10-11-24-20(14-23)15-26-27(17(2)36-28(26)33)25(24)12-9-22-8-7-19(16-31-22)18-5-4-6-21(30)13-18/h4-9,12-13,16-17,20,23-27H,3,10-11,14-15H2,1-2H3,(H,32,34)/p+1/b12-9+/t17-,20+,23-,24-,25+,26-,27+/m1/s1;   InChIKey=ZBGXUVOIWDMMJE-QHNZEKIYSA-O;   SMILES=CCOC(=O)N[C@@H]1CC[C@@H]2[C@H](C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\\C=C\\c2ccc(c[nH+]2)-c2cccc(F)c2)C1
 cyclic_relationship: is_conjugate_acid_of CHEBI:82702


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 24830
    chemical entity 24800
      molecular entity 24764
        ion 17255
          organic ion 8792
            organic cation 7524
              pyridinium ion 2443
                vorapaxar(1+) 0
                  vorapaxar sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 24830
    subatomic particle 24789
      composite particle 24789
        hadron 24789
          baryon 24789
            nucleon 24789
              atomic nucleus 24789
                atom 24789
                  main group element atom 24656
                    main group molecular entity 24656
                      p-block molecular entity 24649
                        carbon group molecular entity 24452
                          organic molecular entity 24416
                            organic ion 8792
                              organic cation 7524
                                pyridinium ion 2443
                                  vorapaxar(1+) 0
                                    vorapaxar sulfate 0
paths to the root