EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:137951 - cyanomethyl 2,3,5-tri-O-acetyl-α-D-arabinofuranosyl-(1→6)-2,3,4-tri-O-acetyl-1-thio-α-D-mannopyranoside

ChEBI IDCHEBI:137951
ChEBI Namecyanomethyl 2,3,5-tri-O-acetyl-α-D-arabinofuranosyl-(1→6)-2,3,4-tri-O-acetyl-1-thio-α-D-mannopyranoside
Stars
ASCII Namecyanomethyl 2,3,5-tri-O-acetyl-alpha-D-arabinofuranosyl-(1->6)-2,3,4-tri-O-acetyl-1-thio-alpha-D-mannopyranoside
DefinitionA thioglycoside in which 2,3,5-tri-O-acetyl-α-D-arabinofuranosyl-(1→6)-2,3,4-tri-O-acetyl-α-D-thiomannopyranose is glycosylated at sulfur with a cyanomethyl group.
Last Modified19 July 2017
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC25H33NO15S
Net Charge0
Average Mass619.598
Monoisotopic Mass619.15709
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]1OC(C)=O
InChIInChI=1S/C25H33NO15S/c1-11(27)33-9-17-20(36-13(3)29)22(38-15(5)31)24(40-17)34-10-18-19(35-12(2)28)21(37-14(4)30)23(39-16(6)32)25(41-18)42-8-7-26/h17-25H,8-10H2,1-6H3/t17-,18-,19-,20-,21+,22+,23+,24+,25-/m1/s1
InChIKeyIWABDLVAGBTQPG-YUGCFNPASA-N
ChEBI Ontology
Outgoing Relation(s)
cyanomethyl 2,3,5-tri-O-acetyl-α-D-arabinofuranosyl-(1→6)-2,3,4-tri-O-acetyl-1-thio-α-D-mannopyranoside (CHEBI:137951) is a thioglycoside (CHEBI:137947)
IUPAC Name 
{[3,4,5-tri-O-acetyl-α-D-arabinofuranosyl-(1→6)-2,3,4-tri-O-acetyl-α-D-mannopyranosyl]thio}acetonitrile
Synonyms  Source
{[2,3,4-tri-O-acetyl-6-O-(2,3,5-tri-O-acetyl-α-D-arabinofuranosyl)-α-D-mannopyranosyl]thio}acetonitrileIUPAC
cyanomethyl 2,3,5-tri-O-acetyl-α-D-arabinofuranosyl-(1→6)-2,3,4-tri-O-acetyl-α-D-thiomannopyranosideChEBI
Registry NumbersSources
Reaxys:27698394Reaxys
Citations