ChEBI logo

ChEBI


    The database and ontology of Chemical Entities of Biological Interest

spacer

(R)-amygdalin (CHEBI:17019)

Search for only All in ChEBI

Main     ChEBI Ontology     Automatic Xrefs      
ChEBI Name (R)-amygdalin
ChEBI ID CHEBI:17019
ChEBI ASCII Name (R)-amygdalin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:10997, CHEBI:336, CHEBI:18681
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
Formula Source
C20H27NO11 KEGG COMPOUND
Net Charge 0
Average Mass 457.42850
InChI
InChI=1S/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2/t10-,11+,12+,13+,14+,15-,16-,17+,18+,19+,20+/m0/s1
InChIKey
XUCIJNAGGSZNQT-JHSLDZJXSA-N
SMILES
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[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 on the ChEBI Ontology
ChEBI Ontology
Outgoing (R)-amygdalin (CHEBI:17019) has functional parent (R)-mandelonitrile (CHEBI:18450)
(R)-amygdalin (CHEBI:17019) is a amygdalin (CHEBI:27613)
(R)-amygdalin (CHEBI:17019) is a cyanogenic glycoside (CHEBI:23436)
(R)-amygdalin (CHEBI:17019) is a disaccharide derivative (CHEBI:63353)
IUPAC Name
(2R)-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy](phenyl)acetonitrile
Synonyms Sources
(-)-D-mandelonitrile beta-D-gentiobioside ChEBI
(R)-Amygdalin KEGG COMPOUND
(R)-Amygdaloside KEGG COMPOUND
(R)-Laenitrile KEGG COMPOUND
D(−)-mandelonitrile-β-D-gentiobioside ChemIDplus
D-amygdalin ChemIDplus
D-mandelonitrile-β-D-glucosido-6-β-D-glucoside ChemIDplus
Database Link Database
C01982 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
29883-15-6 CAS Registry Number ChemIDplus
66856 Beilstein Registry Number Beilstein
Last Modified
20 September 2012

spacer
spacer