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CHEBI:16667 - (4-hydroxyphenyl)acetonitrile

ChEBI IDCHEBI:16667
ChEBI Name(4-hydroxyphenyl)acetonitrile
Stars
DefinitionA hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4.
Secondary ChEBI IDsCHEBI:1875, CHEBI:12015, CHEBI:20420
Last Modified4 October 2016
DownloadsMolfile
FormulaC8H7NO
Net Charge0
Average Mass133.150
Monoisotopic Mass133.05276
SMILESN#CCc1ccc(O)cc1
InChIInChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
InChIKeyAYKYOOPFBCOXSL-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
(4-hydroxyphenyl)acetonitrile (CHEBI:16667) has role plant metabolite (CHEBI:76924)
(4-hydroxyphenyl)acetonitrile (CHEBI:16667) is a hydroxynitrile (CHEBI:24730)
IUPAC Name 
(4-hydroxyphenyl)acetonitrile
Synonyms  Source
4-HydroxyphenylacetonitrileKEGG COMPOUND
4-Hydroxybenzyl cyanideKEGG COMPOUND
4-HydroxybenzylcyanideChemIDplus
4-HydroxybenzeneacetonitrileChemIDplus
4-hydroxyphenylacetic acid nitrileNIST Chemistry WebBook
UniProt Name  Source
4-hydroxyphenylacetonitrileUniProt
Manual XrefsDatabases
C03766KEGG COMPOUND
C03766KEGG COMPOUND
C00029532KNApSAcK
HMDB0029757HMDB
CPD-1074MetaCyc
Registry NumbersSources
Reaxys:1934470Reaxys
CAS:14191-95-8KEGG COMPOUND
CAS:14191-95-8ChemIDplus
CAS:14191-95-8NIST Chemistry WebBook
Citations