CHEBI:16667 - (4-hydroxyphenyl)acetonitrile

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4-hydroxyphenyl)acetonitrile
ChEBI ID CHEBI:16667
Definition A hydroxynitrile that is phenylacetonitrile substituted by a hydroxy group at position 4.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12015, CHEBI:1875, CHEBI:20420
Supplier Information
Download Molfile XML SDF
Formula C8H7NO
Net Charge 0
Average Mass 133.14732
Monoisotopic Mass 133.053
InChI InChI=1S/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
InChIKey AYKYOOPFBCOXSL-UHFFFAOYSA-N
SMILES Oc1ccc(CC#N)cc1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 Sources
4-Hydroxybenzeneacetonitrile ChemIDplus
4-Hydroxybenzyl cyanide KEGG COMPOUND
4-Hydroxybenzylcyanide ChemIDplus
4-hydroxyphenylacetic acid nitrile NIST Chemistry WebBook
4-Hydroxyphenylacetonitrile KEGG COMPOUND
4-hydroxyphenylacetonitrile UniProt
Manual Xrefs Databases
C00029532 KNApSAcK
C03766 KEGG COMPOUND
CPD-1074 MetaCyc
HMDB0029757 HMDB
View more database links
Registry Numbers Types Sources
14191-95-8 CAS Registry Number KEGG COMPOUND
14191-95-8 CAS Registry Number ChemIDplus
14191-95-8 CAS Registry Number NIST Chemistry WebBook
1934470 Beilstein Registry Number ChemIDplus
1934470 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
9677329 PubMed citation Europe PMC
Last Modified
04 October 2016