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> Main
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
133.05276
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
Manual Xrefs
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
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