CHEBI:16910 - mandelonitrile

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ChEBI Name mandelonitrile
ChEBI ID CHEBI:16910
Definition A cyanohydrin that is phenylacetonitrile in which one of the methylene hydrogens is replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:14573, CHEBI:6680, CHEBI:25151
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Formula C8H7NO
Net Charge 0
Average Mass 133.14732
Monoisotopic Mass 133.053
InChI InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
InChIKey NNICRUQPODTGRU-UHFFFAOYSA-N
SMILES OC(C#N)c1ccccc1
ChEBI Ontology
Outgoing mandelonitrile (CHEBI:16910) is a cyanohydrin (CHEBI:23437)
Incoming 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 Sources
α-hydroxybenzeneacetonitrile NIST Chemistry WebBook
Benzaldehyde cyanohydrin KEGG COMPOUND
mandelic acid nitrile NIST Chemistry WebBook
Mandelonitrile KEGG COMPOUND
mandelonitrile UniProt
phenylglycolonitrile ChemIDplus
Database Links Databases
HMDB0034666 HMDB
Mandelonitrile Wikipedia
MANDELONITRILE MetaCyc
View more database links
Registry Numbers Types Sources
1684586 Gmelin Registry Number Gmelin
2207122 Beilstein Registry Number ChemIDplus
2207122 Reaxys Registry Number Reaxys
532-28-5 CAS Registry Number NIST Chemistry WebBook
532-28-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
25248440 PubMed citation Europe PMC
25652193 PubMed citation Europe PMC
26014754 PubMed citation Europe PMC
26564406 PubMed citation Europe PMC
26577409 PubMed citation Europe PMC
Last Modified
26 May 2016