CHEBI:17396 - (R)-prunasin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (R)-prunasin
ChEBI ID CHEBI:17396
ChEBI ASCII Name (R)-prunasin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:36463, CHEBI:11011, CHEBI:353, CHEBI:18706
Supplier Information
Download Molfile XML SDF
Formula C14H17NO6
Net Charge 0
Average Mass 295.28792
Monoisotopic Mass 295.106
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+/m0/s1
InChIKey ZKSZEJFBGODIJW-GMDXDWKASA-N
SMILES OC[C@H]1O[C@@H](O[C@@H](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 (R)-prunasin (CHEBI:17396) is a prunasin (CHEBI:25150)
Incoming (R)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:16267) has functional parent (R)-prunasin (CHEBI:17396)
IUPAC Name
(2R)-(β-D-glucopyranosyloxy)(phenyl)acetonitrile
Synonyms Sources
(R)-(β-D-glucopyranosyloxy)phenylacetonitrile ChemIDplus
(R)-α-(β-D-glucopyranosyloxy)benzene-acetonitrile ChemIDplus
(R)-mandelonitrile β-D-glucopyranoside ChEBI
(R)-mandelonitrile β-D-glucoside ChEBI
(R)-Prunasin KEGG COMPOUND
(R)-prunasin UniProt
D-prunasin ChemIDplus
prunasin ChemIDplus
Manual Xref Database
C00844 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
91509 Beilstein Registry Number Beilstein
99-18-3 CAS Registry Number ChemIDplus
Last Modified
23 July 2015