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CHEBI:27761 - (S)-prunasin

ChEBI IDCHEBI:27761
ChEBI Name(S)-prunasin
Stars
ASCII Name(S)-prunasin
Secondary ChEBI IDsCHEBI:426, CHEBI:18788
Last Modified15 January 2021
DownloadsMolfile
FormulaC14H17NO6
Net Charge0
Average Mass295.291
Monoisotopic Mass295.10559
SMILESN#C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1
InChIInChI=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
InChIKeyZKSZEJFBGODIJW-YOVYLDAJSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(S)-prunasin (CHEBI:27761) is a prunasin (CHEBI:25150)
Incoming Relation(s)
(S)-4-hydroxymandelonitrile β-D-glucoside (CHEBI:27826) has functional parent (S)-prunasin (CHEBI:27761)
IUPAC Name 
(2S)-(β-D-glucopyranosyloxy)(phenyl)acetonitrile
Synonyms  Source
(S)-Mandelonitrile beta-D-glucosideKEGG COMPOUND
(S)-mandelonitrile β-D-glucosideChEBI
L-prunasinChemIDplus
sambunigrinChemIDplus
(2S)-sambunigrinChemIDplus
(S)-O-β-D-glucopyranosylmandelonitrileChEBI
Manual XrefsDatabases
C04273KEGG COMPOUND
C00001454KNApSAcK
C00844KEGG COMPOUND
FDB013582FooDB
CPD-20541MetaCyc
HMDB0034981HMDB
Registry NumbersSources
Beilstein:91508Beilstein
CAS:99-19-4ChemIDplus
CAS:99-18-3KEGG COMPOUND
Citations