CHEBI:27761 - (S)-prunasin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-prunasin
ChEBI ID CHEBI:27761
ChEBI ASCII Name (S)-prunasin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:18788, CHEBI:426
Supplier Information
Download Molfile XML SDF
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-YOVYLDAJSA-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 (S)-prunasin (CHEBI:27761) is a prunasin (CHEBI:25150)
Incoming (S)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:27826) has functional parent (S)-prunasin (CHEBI:27761)
IUPAC Name
(2S)-(β-D-glucopyranosyloxy)(phenyl)acetonitrile
Synonyms Sources
(S)-Mandelonitrile beta-D-glucoside KEGG COMPOUND
(S)-mandelonitrile β-D-glucoside ChEBI
L-prunasin ChemIDplus
Manual Xrefs Databases
C00001454 KNApSAcK
C00844 KEGG COMPOUND
C04273 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
91508 Beilstein Registry Number Beilstein
99-18-3 CAS Registry Number KEGG COMPOUND
99-19-4 CAS Registry Number ChemIDplus
Last Modified
28 July 2014