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CHEBI:16910 - mandelonitrile

ChEBI IDCHEBI:16910
ChEBI Namemandelonitrile
Stars
DefinitionA cyanohydrin that is phenylacetonitrile in which one of the methylene hydrogens is replaced by a hydroxy group.
Secondary ChEBI IDsCHEBI:6680, CHEBI:14573, CHEBI:25151
Last Modified26 May 2016
DownloadsMolfile
FormulaC8H7NO
Net Charge0
Average Mass133.150
Monoisotopic Mass133.05276
SMILESN#CC(O)c1ccccc1
InChIInChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
InChIKeyNNICRUQPODTGRU-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
mandelonitrile (CHEBI:16910) is a cyanohydrin (CHEBI:23437)
Incoming Relation(s)
4-hydroxymandelonitrile (CHEBI:18115) has functional parent mandelonitrile (CHEBI:16910)
prunasin (CHEBI:25150) has functional parent mandelonitrile (CHEBI:16910)
(R)-mandelonitrile (CHEBI:18450) is a mandelonitrile (CHEBI:16910)
(S)-mandelonitrile (CHEBI:36941) is a mandelonitrile (CHEBI:16910)
IUPAC Name 
hydroxy(phenyl)acetonitrile
Synonyms  Source
MandelonitrileKEGG COMPOUND
Benzaldehyde cyanohydrinKEGG COMPOUND
α-hydroxybenzeneacetonitrileNIST Chemistry WebBook
mandelic acid nitrileNIST Chemistry WebBook
phenylglycolonitrileChemIDplus
UniProt Name  Source
mandelonitrileUniProt
Manual XrefsDatabases
HMDB0034666HMDB
MANDELONITRILEMetaCyc
MandelonitrileWikipedia
Registry NumbersSources
Gmelin:1684586Gmelin
Reaxys:2207122Reaxys
CAS:532-28-5NIST Chemistry WebBook
CAS:532-28-5ChemIDplus
Citations