CHEBI:27613 - amygdalin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name amygdalin
ChEBI ID CHEBI:27613
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:2690, CHEBI:22537
Supplier Information
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Formula C20H27NO11
Net Charge 0
Average Mass 457.42852
Monoisotopic Mass 457.158
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-/m1/s1
InChIKey XUCIJNAGGSZNQT-SWRVSKMJSA-N
SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC(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): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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 amygdalin (CHEBI:27613) has functional parent prunasin (CHEBI:25150)
amygdalin (CHEBI:27613) has role plant metabolite (CHEBI:76924)
amygdalin (CHEBI:27613) is a cyanogenic glycoside (CHEBI:23436)
amygdalin (CHEBI:27613) is a disaccharide derivative (CHEBI:63353)
amygdalin (CHEBI:27613) is a gentiobioside (CHEBI:24215)
Incoming (R)-amygdalin (CHEBI:17019) is a amygdalin (CHEBI:27613)
IUPAC Name
[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy](phenyl)acetonitrile
Synonyms Sources
amygdaloside ChEBI
mandelonitrile-β-gentiobioside ChEBI
Last Modified
25 May 2016