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CHEBI:140661 - 2,2'-dithiobis{1-[α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane}

ChEBI IDCHEBI:140661
ChEBI Name2,2'-dithiobis{1-[α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane}
Stars
ASCII Name2,2'-dithiobis{1-[alpha-D-galacturonosyl-(1->3)-alpha-D-galacturonosyloxy]ethane}
DefinitionAn oligosaccharide derivative consisting of two α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy disaccharide 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
FormulaC28H42O26S2
Net Charge0
Average Mass858.752
Monoisotopic Mass858.14057
SMILESO=C(O)[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](C(=O)O)O[C@H](OCCSSCCO[C@H]3O[C@H](C(=O)O)[C@H](O)[C@H](O[C@H]4O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C28H42O26S2/c29-5-7(31)17(21(39)40)53-27(9(5)33)49-15-11(35)19(23(43)44)51-25(13(15)37)47-1-3-55-56-4-2-48-26-14(38)16(12(36)20(52-26)24(45)46)50-28-10(34)6(30)8(32)18(54-28)22(41)42/h5-20,25-38H,1-4H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)/t5-,6-,7+,8+,9+,10+,11+,12+,13+,14+,15-,16-,17-,18-,19-,20-,25-,26-,27-,28-/m0/s1
InChIKeyFVPWOZLICJAVPD-GILVYGEASA-N
ChEBI Ontology
Outgoing Relation(s)
2,2'-dithiobis{1-[α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane} (CHEBI:140661) is a oligosaccharide derivative (CHEBI:63563)
2,2'-dithiobis{1-[α-D-galacturonosyl-(1→3)-α-D-galacturonosyloxy]ethane} (CHEBI:140661) is a organic disulfide (CHEBI:35489)
IUPAC Name 
2-({2-[(3-O-α-D-galactopyranuronosyl-α-D-galactopyranuronosyl)oxy]ethyl}disulfanyl)ethyl 3-O-α-D-galactopyranuronosyl-α-D-galactopyranosiduronic acid
Synonyms  Source
2,2'-dithiobis[α-D-galactopyranosyluronate-(1→3)-α-D-galactopyranosyluronate-(1→1)-1-ethanol]ChEBI
2-[[2-[(3-O-α-D-galactopyranuronosyl-α-D-galactopyranuronosyl)oxy]ethyl]dithio]ethyl 3-O-α-D-galactopyranuronosyl-α-D-galactopyranosiduronic acidChEBI
2,2'-dithiobis{1-[α-D-galactopyranuronosyl-(1→3)-α-D-galactopyranuronosyloxy]ethane}ChEBI
Registry NumbersSources
Reaxys:27867044Reaxys
Citations