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CHEBI:137946 - cyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannoside

ChEBI IDCHEBI:137946
ChEBI Namecyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannoside
Stars
ASCII Namecyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-alpha-D-mannoside
DefinitionA thioglycoside in which 2,3,4,6-tetra-O-acetyl-1-thio-D-α-mannopyranose is glycosylated at sulfur with a cyanomethyl group.
Last Modified19 July 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC16H21NO9S
Net Charge0
Average Mass403.409
Monoisotopic Mass403.09370
SMILESCC(=O)OC[C@H]1O[C@H](SCC#N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C16H21NO9S/c1-8(18)22-7-12-13(23-9(2)19)14(24-10(3)20)15(25-11(4)21)16(26-12)27-6-5-17/h12-16H,6-7H2,1-4H3/t12-,13-,14+,15+,16-/m1/s1
InChIKeyZNQCXCWNORCJGV-RBGFHDKUSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanomethyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-mannoside (CHEBI:137946) is a thioglycoside (CHEBI:137947)
IUPAC Name 
[(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)thio]acetonitrile
Registry NumbersSources
Reaxys:1443036Reaxys
Citations