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ChEBI
> Main
CHEBI:25150 - prunasin
Main
ChEBI Ontology
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ChEBI Name
prunasin
ChEBI ID
CHEBI:25150
Stars
This entity has been manually annotated by the ChEBI Team.
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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
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