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CHEBI:181151 - 2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile

ChEBI IDCHEBI:181151
ChEBI Name2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H19NO6
Net Charge0
Average Mass261.274
Monoisotopic Mass261.12124
SMILESCC(C#N)C(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C11H19NO6/c1-5(3-12)6(2)17-11-10(16)9(15)8(14)7(4-13)18-11/h5-11,13-16H,4H2,1-2H3/t5?,6?,7-,8-,9+,10-,11-/m1/s1
InChIKeyLHNFRFAOVVPESM-IQACCLBBSA-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)
2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile (CHEBI:181151) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name 
2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanenitrile
Manual XrefsDatabases
29814599ChemSpider