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CHEBI:137953 - cyanomethyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl-(1→6)-2,3,4-tri-O-acetyl-1-thio-α-D-mannopyranoside

ChEBI IDCHEBI:137953
ChEBI Namecyanomethyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl-(1→6)-2,3,4-tri-O-acetyl-1-thio-α-D-mannopyranoside
Stars
ASCII Namecyanomethyl 2,3,4,6-tetra-O-acetyl-alpha-D-mannopyranosyl-(1->6)-2,3,4-tri-O-acetyl-1-thio-alpha-D-mannopyranoside
DefinitionA thioglycoside in which 2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl-(1→6)-2,3,4-tri-O-acetyl-1-thio-α-D-mannopyranose is glycosylated at sulfur with a cyanomethyl group.
Last Modified19 July 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H37NO17S
Net Charge0
Average Mass691.661
Monoisotopic Mass691.17822
SMILESCC(=O)OC[C@H]1O[C@H](OC[C@H]2O[C@H](SCC#N)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C28H37NO17S/c1-12(30)37-10-19-21(39-13(2)31)23(41-15(4)33)25(43-17(6)35)27(45-19)38-11-20-22(40-14(3)32)24(42-16(5)34)26(44-18(7)36)28(46-20)47-9-8-29/h19-28H,9-11H2,1-7H3/t19-,20-,21-,22-,23+,24+,25+,26+,27+,28-/m1/s1
InChIKeyVWWRFAIZSWDUNK-HEOQLGAVSA-N
ChEBI Ontology
Outgoing Relation(s)
cyanomethyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl-(1→6)-2,3,4-tri-O-acetyl-1-thio-α-D-mannopyranoside (CHEBI:137953) is a thioglycoside (CHEBI:137947)
IUPAC Name 
{[2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl-(1→6)-2,3,4-tri-O-acetyl-α-D-mannopyranosyl]thio}acetonitrile
Synonyms  Source
{[2,3,4-tri-O-acetyl-6-O-(2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl)-α-D-mannopyranosyl]thio}acetonitrileIUPAC
cyanomethyl 2,3,4,6-tetra-O-acetyl-α-D-mannopyranosyl-(1→6)-2,3,4-tri-O-acetyl-α-D-thiomannopyranosideChEBI
Registry NumbersSources
Reaxys:27698393Reaxys
Citations