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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:phenylacetonitrile
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Accession:CHEBI:25979 term browser browse the term
Definition:A nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a phenyl group.
Synonyms:related_synonym: (cyanomethyl)benzene;   2-phenylacetonitrile;   Formula=C8H7N;   InChI=1S/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2;   InChIKey=SUSQOBVLVYHIEX-UHFFFAOYSA-N;   SMILES=N#CCc1ccccc1;   alpha-cyanotoluene;   alpha-tolunitrile;   benzeneacetonitrile;   benzyl cyanide;   benzyl nitrile
 xref: Beilstein:385941;   CAS:140-29-4;   DrugBank:DB04817;   Gmelin:68893;   KEGG:C16074;   KNApSAcK:C00007674;   PMID:12770022;   PMID:19215138;   PMID:20411403;   PMID:20490899;   PMID:20882316;   PMID:21377400;   PMID:21452001;   Reaxys:385941;   UM-BBD_compID:c0647


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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19770
    chemical entity 19770
      group 19687
        pseudohalo group 2942
          cyano group 2942
            nitrile 2942
              phenylacetonitrile 0
                2-amino-2-phenylacetonitrile 0
                SureCN668028 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19770
    subatomic particle 19768
      composite particle 19768
        hadron 19768
          baryon 19768
            nucleon 19768
              atomic nucleus 19768
                atom 19768
                  main group element atom 19662
                    p-block element atom 19662
                      carbon group element atom 19580
                        carbon atom 19571
                          organic molecular entity 19571
                            one-carbon compound 17593
                              hydrogen cyanide 2947
                                cyanides 2947
                                  nitrile 2942
                                    aliphatic nitrile 1672
                                      acetonitrile 20
                                        phenylacetonitrile 0
                                          2-amino-2-phenylacetonitrile 0
                                          SureCN668028 0
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