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CHEBI:140645 - 2,2'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyl-(1→4)-α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane}

ChEBI IDCHEBI:140645
ChEBI Name2,2'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyl-(1→4)-α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane}
Stars
ASCII Name2,2'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-alpha-D-fucosyl-(1->4)-alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy]ethane}
DefinitionAn oligosaccharide derivative consisting of two 2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyl-(1→4)-α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy trisaccharide units linked via a dithiodiethyl 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
FormulaC44H70N4O32S2
Net Charge0
Average Mass1231.174
Monoisotopic Mass1230.34146
SMILESCC(=O)N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@@H](O)[C@@H](C(=O)O)O[C@H](OCCSSCCO[C@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O[C@H]5O[C@H](C(=O)O)[C@H](O[C@H]6O[C@H](C)[C@H](N)[C@H](O)[C@H]6NC(C)=O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H]3O)O[C@@H]2C(=O)O)O[C@H](C)[C@H](N)[C@@H]1O
InChIInChI=1S/C44H70N4O32S2/c1-9-13(45)17(51)15(47-11(3)49)39(71-9)75-29-19(53)21(55)43(79-33(29)37(65)66)73-27-23(57)31(35(61)62)77-41(25(27)59)69-5-7-81-82-8-6-70-42-26(60)28(24(58)32(78-42)36(63)64)74-44-22(56)20(54)30(34(80-44)38(67)68)76-40-16(48-12(4)50)18(52)14(46)10(2)72-40/h9-10,13-34,39-44,51-60H,5-8,45-46H2,1-4H3,(H,47,49)(H,48,50)(H,61,62)(H,63,64)(H,65,66)(H,67,68)/t9-,10-,13+,14+,15-,16-,17+,18+,19-,20-,21-,22-,23-,24-,25-,26-,27+,28+,29-,30-,31+,32+,33+,34+,39-,40-,41+,42+,43+,44+/m1/s1
InChIKeyANBXMTSTABUBTI-ZUOYIZBXSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyl-(1→4)-α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane} (CHEBI:140645) is a oligosaccharide derivative (CHEBI:63563)
2,2'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-α-D-fucosyl-(1→4)-α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane} (CHEBI:140645) is a organic disulfide (CHEBI:35489)
IUPAC Name 
2-[(2-{[2-acetamido-4-amino-2,4-dideoxy-α-D-fucopyranosyl-(1→4)-α-D-galactopyranuronosyl-(1→3)-α-D-galactopyranuronosyl]oxy}ethyl)disulfanyl]ethyl 2-acetamido-4-amino-2,4-dideoxy-α-D-fucopyranosyl-(1→4)-α-D-galactopyranuronosyl-(1→3)-α-D-galactopyranosiduronic acid
Synonyms  Source
2,2'-dithiobis{1-[2-acetamido-4-amino-2,4-dideoxy-α-D-fucopyranosyl-(1→4)-α-D-galactopyranuronosyl-(1→3)-α-D-galactopyranuronosyloxy]ethane}ChEBI
2,2'-dithiobis[2-acetamido-4-amino-2,4,6-trideoxy-α-D-galactopyranosyl-(1→4)-α-D-galactopyranosyluronate-(1→3)-α-D-galactopyranosyluronate-(1→1)-1-ethanol]ChEBI
Manual XrefsDatabases
EP2845860Patent
Registry NumbersSources
Reaxys:27867024Reaxys
Citations