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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:2-methyl-6-(phenylethynyl)pyridinium(1+)
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Accession:CHEBI:64160 term browser browse the term
Definition:A pyridinium ion that is the conjugate acid of 2-methyl-6-(phenylethynyl)pyridine, arising from protonation of the pyridine nitrogen.
Synonyms:exact_synonym: 2-methyl-6-(phenylethynyl)pyridinium
 related_synonym: 2-methyl-6-(phenylethynyl)pyridinium cation;   Formula=C14H12N;   InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3/p+1;   InChIKey=NEWKHUASLBMWRE-UHFFFAOYSA-O;   MPEP cation;   MPEP(1+);   SMILES=Cc1cccc([nH+]1)C#Cc1ccccc1
 cyclic_relationship: is_conjugate_acid_of CHEBI:64159


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Path 1
Term Annotations click to browse term
  CHEBI ontology 22178
    chemical entity 22208
      molecular entity 22169
        ion 17696
          organic ion 10063
            organic cation 9099
              pyridinium ion 2419
                2-methyl-6-(phenylethynyl)pyridinium(1+) 0
                  2-methyl-6-(phenylethynyl)pyridine hydrochloride 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 22178
    subatomic particle 22170
      composite particle 22170
        hadron 22201
          baryon 22170
            nucleon 22170
              atomic nucleus 22170
                atom 22170
                  main group element atom 22104
                    main group molecular entity 22104
                      p-block molecular entity 22104
                        carbon group molecular entity 21904
                          organic molecular entity 21830
                            organic ion 10063
                              organic cation 9099
                                pyridinium ion 2419
                                  2-methyl-6-(phenylethynyl)pyridinium(1+) 0
                                    2-methyl-6-(phenylethynyl)pyridine hydrochloride 0
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