CHEBI:16910 - mandelonitrile

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ChEBI Name mandelonitrile
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
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)
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
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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
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Last Modified
26 May 2016