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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:benzonitrile
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Accession:CHEBI:27991 term browser browse the term
Definition:A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a phenyl group.
Synonyms:related_synonym: C6H5-CN;   Cyanobenzene;   Formula=C7H5N;   InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H;   InChIKey=JFDZBHWFFUWGJE-UHFFFAOYSA-N;   Phenyl cyanide;   SMILES=N#Cc1ccccc1;   benzenenitrile;   benzoic acid nitrile
 alt_id: CHEBI:22725;   CHEBI:3033
 xref: Beilstein:506893;   CAS:100-47-0;   Gmelin:2653;   KEGG:C09814;   MetaCyc:CPD-15582;   PMID:24129580;   UM-BBD_compID:c0367;   Wikipedia:Benzonitrile


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Path 1
Term Annotations click to browse term
  CHEBI ontology 0
    chemical entity 0
      group 0
        pseudohalo group 0
          cyano group 0
            nitrile 0
              benzonitrile 0
                2,6-dichlorobenzonitrile 0
                2-(\{8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl\}methyl)benzonitrile 0
                3-(\{(5R)-3-[3-(1H-imidazol-1-yl)propyl]-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl\}methyl)benzonitrile 0
                4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile 0
                4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile 0
                4-cyanophenol + 0
                benzonitrile oxide 0
                perampanel + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic molecule 0
                              organic cyclic compound 0
                                carbocyclic compound 0
                                  benzenoid aromatic compound 0
                                    benzenes 0
                                      benzonitrile 0
                                        2,6-dichlorobenzonitrile 0
                                        2-(\{8-[(3R)-3-aminopiperidin-1-yl]-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl\}methyl)benzonitrile 0
                                        3-(\{(5R)-3-[3-(1H-imidazol-1-yl)propyl]-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl\}methyl)benzonitrile 0
                                        4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile 0
                                        4-[(1S,2S)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile 0
                                        4-cyanophenol + 0
                                        benzonitrile oxide 0
                                        perampanel + 0
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