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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 908
    chemical entity 908
      molecular entity 906
        ion 131
          organic ion 57
            organic cation 38
              pyridinium ion 3
                vorapaxar(1+) 0
                  vorapaxar sulfate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 908
    subatomic particle 893
      composite particle 893
        hadron 893
          baryon 893
            nucleon 893
              atomic nucleus 893
                atom 893
                  main group element atom 862
                    main group molecular entity 860
                      p-block molecular entity 858
                        carbon group molecular entity 835
                          organic molecular entity 834
                            organic ion 57
                              organic cation 38
                                pyridinium ion 3
                                  vorapaxar(1+) 0
                                    vorapaxar sulfate 0
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