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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:N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide
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Accession:CHEBI:114342 term browser browse the term
Definition:A pyridinium ion that has formula C25H23N2O4S.
Synonyms:related_synonym: Formula=C25H23N2O4S;   InChI=1S/C25H22N2O4S/c1-25(2,3)17-13-15-27(16-14-17)22-21(26-32(30,31)18-9-5-4-6-10-18)23(28)19-11-7-8-12-20(19)24(22)29/h4-16H,1-3H3/p+1;   InChIKey=QFLMQIMVEYAESD-UHFFFAOYSA-O;   SMILES=CC(C)(C)C1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=CC=C4
 xref: LINCS:LSM-25802



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19834
    chemical entity 19832
      molecular entity 19832
        ion 16697
          organic ion 9857
            organic cation 8908
              pyridinium ion 2432
                N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19834
    subatomic particle 19832
      composite particle 19832
        hadron 19832
          baryon 19832
            nucleon 19832
              atomic nucleus 19832
                atom 19832
                  main group element atom 19782
                    main group molecular entity 19782
                      p-block molecular entity 19782
                        carbon group molecular entity 19730
                          organic molecular entity 19727
                            organic ion 9857
                              organic cation 8908
                                pyridinium ion 2432
                                  N-[3-(4-tert-butyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide 0
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