CHEBI:25150 - prunasin

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ChEBI Name prunasin
ChEBI ID CHEBI:25150
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H17NO6
Net Charge 0
Average Mass 295.28792
Monoisotopic Mass 295.10559
InChI InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1
InChIKey ZKSZEJFBGODIJW-MXNNCRBYSA-N
SMILES OC[C@H]1O[C@@H](OC(C#N)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via cyanogenic glycoside )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing prunasin (CHEBI:25150) has functional parent mandelonitrile (CHEBI:16910)
prunasin (CHEBI:25150) is a β-D-glucoside (CHEBI:22798)
prunasin (CHEBI:25150) is a cyanogenic glycoside (CHEBI:23436)
prunasin (CHEBI:25150) is a monosaccharide derivative (CHEBI:63367)
prunasin (CHEBI:25150) is a nitrile (CHEBI:18379)
Incoming amygdalin (CHEBI:27613) has functional parent prunasin (CHEBI:25150)
(R)-prunasin (CHEBI:17396) is a prunasin (CHEBI:25150)
(S)-prunasin (CHEBI:27761) is a prunasin (CHEBI:25150)
IUPAC Name
(β-D-glucopyranosyloxy)(phenyl)acetonitrile
Synonyms Sources
α-(β-D-glucopyranosyloxy)benzeneacetonitrile ChemIDplus
D,L-mandelonitrile-β-D-glucoside ChemIDplus
mandelonitrile β-D-glucopyranoside ChEBI
mandelonitrile β-D-glucoside ChEBI
mandelonitrile glucoside ChemIDplus
prulaurasin ChemIDplus
prunasin ChemIDplus
Registry Numbers Types Sources
138-53-4 CAS Registry Number ChemIDplus
9142960 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
30027801 PubMed citation Europe PMC
30445872 PubMed citation Europe PMC
32618500 PubMed citation Europe PMC
33328455 PubMed citation Europe PMC
Last Modified
15 January 2021