EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:140666 - 6,6'-dithiodi[1-(2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyloxy)hexane]

ChEBI IDCHEBI:140666
ChEBI Name6,6'-dithiodi[1-(2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyloxy)hexane]
Stars
ASCII Name6,6'-dithiodi[1-(2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyloxy)hexane]
DefinitionAn oligosaccharide derivative consisting of two 2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyloxy ((2-acetamido-4-amino-2,4,6-trideoxy-α-D-galactosyl) monosaccharide units linked via a dithiodihexyl divalent group. One of a panel of synthetic oligosaccharide derivatives designed to reveal a critical role of the rare aminosugar 2-acetamido-4-amino-2,4-dideoxy-D-fucose (2-acetamido-4-amino-2,4,6-trideoxy-D-galactose; D-AAT) for serotype 1 immune recognition (PMID:29632881).
Last Modified3 May 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC28H54N4O8S2
Net Charge0
Average Mass638.894
Monoisotopic Mass638.33831
SMILESCC(=O)N[C@H]1[C@@H](OCCCCCCSSCCCCCCO[C@H]2O[C@H](C)[C@H](N)[C@H](O)[C@H]2NC(C)=O)O[C@H](C)[C@H](N)[C@@H]1O
InChIInChI=1S/C28H54N4O8S2/c1-17-21(29)25(35)23(31-19(3)33)27(39-17)37-13-9-5-7-11-15-41-42-16-12-8-6-10-14-38-28-24(32-20(4)34)26(36)22(30)18(2)40-28/h17-18,21-28,35-36H,5-16,29-30H2,1-4H3,(H,31,33)(H,32,34)/t17-,18-,21+,22+,23-,24-,25+,26+,27+,28+/m1/s1
InChIKeyRZEWDSIUDHUYOE-BVAUQLTISA-N
ChEBI Ontology
Outgoing Relation(s)
6,6'-dithiodi[1-(2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyloxy)hexane] (CHEBI:140666) is a oligosaccharide derivative (CHEBI:63563)
6,6'-dithiodi[1-(2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyloxy)hexane] (CHEBI:140666) is a organic disulfide (CHEBI:35489)
IUPAC Name 
6-({6-[(2-acetamido-4-amino-2,4,6-trideoxy-α-D-galactopyranosyl)oxy]hexyl}disulfanyl)hexyl 2-acetamido-4-amino-2,4,6-trideoxy-α-D-galactopyranoside
Synonyms  Source
6-({6-[(2-acetamido-4-amino-2,4,6-trideoxy-α-D-galactosyl)oxy]hexyl}disulfanyl)hexyl 2-acetamido-4-amino-2,4,6-trideoxy-α-D-galactosideChEBI
6,6'-dithiodi[1-(2-acetamido-4-amino-2,4-dideoxy-α-D-fucopyranosyloxy)hexane]ChEBI
6,6'-dithiobis[2-acetamido-4-amino-2,4,6-trideoxy-α-D-galactopyranosyl-(1→1)-1-hexanol]ChEBI
Registry NumbersSources
Reaxys:27867036Reaxys
Citations