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CHEBI:181511 - 2-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylbutanenitrile

ChEBI IDCHEBI:181511
ChEBI Name2-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylbutanenitrile
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H27NO10
Net Charge0
Average Mass393.389
Monoisotopic Mass393.16350
SMILESCC(C)C(C#N)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C16H27NO10/c1-7(2)8(3-17)26-14-12(21)11(20)10(19)9(27-14)4-24-15-13(22)16(23,5-18)6-25-15/h7-15,18-23H,4-6H2,1-2H3/t8?,9-,10-,11+,12-,13+,14-,15-,16-/m1/s1
InChIKeyPMWFORPJUWEXBG-BHQATCKTSA-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-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylbutanenitrile (CHEBI:181511) is a cyanogenic glycoside (CHEBI:23436)
IUPAC Name 
2-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3-methylbutanenitrile