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CHEBI:78719 - S. flexneri serotype 6 O-polysaccharide (O factor 9-positive)

ChEBI IDCHEBI:78719
ChEBI NameS. flexneri serotype 6 O-polysaccharide (O factor 9-positive)
Stars
ASCII NameS. flexneri serotype 6 O-polysaccharide (O factor 9-positive)
DefinitionA polysaccharide derivative comprised of a [2)-α-L-RhapIII-(1→2)-α-L-RhapII-(1→3)-β-D-GalpA-(1→3)-β-D-GalpNAc-(1→] tetrasaccharide repeat modified by the addition of an acetyl group to either O-3 or O-4 of many of the RhaIII residues (60% to O-3; 30% to O-4). The structure provided is representative of that in Shigella flexneri serotype 6 and shows the most common repeating unit.
Last Modified6 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
Formula(C30H45NO21)n.H2O
Net Charge0
Average Mass773.691
Monoisotopic Mass773.25897
SMILES[H]O[C@H]1[C@H](O[C@H]2[C@@H](O[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@H](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]4NC(C)=O)O[C@@H]3C(=O)O)O[C@@H](C)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C30H47NO22/c1-7-14(36)17(39)23(52-28-19(41)21(47-10(4)34)15(37)8(2)45-28)29(46-7)51-22-18(40)24(48-11(5)35)30(53-25(22)26(42)43)50-20-13(31-9(3)33)27(44)49-12(6-32)16(20)38/h7-8,12-25,27-30,32,36-41,44H,6H2,1-5H3,(H,31,33)(H,42,43)/t7-,8-,12+,13+,14-,15-,16-,17+,18-,19+,20+,21+,22+,23+,24+,25-,27+,28-,29+,30+/m0/s1
InChIKeyRJCKAPFLVMTBQJ-LNUQUYENSA-N
Roles Classification
Biological Role:
antigen  Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).
ChEBI Ontology
Outgoing Relation(s)
S. flexneri serotype 6 O-polysaccharide (O factor 9-positive) (CHEBI:78719) has role antigen (CHEBI:59132)
S. flexneri serotype 6 O-polysaccharide (O factor 9-positive) (CHEBI:78719) is a polysaccharide derivative (CHEBI:65212)
Synonyms  Source
[2)-α-L-RhaIII3/4Ac-(1→2)-α-L-RhaII-(1→4)-β-D-GalA-(1→3)-β-D-GalNAc-(1→]nChEBI
[2)-α-L-RhaIIIp3/4Ac-(1→2)-α-L-RhaIIp-(1→4)-β-D-GalpA-(1→3)-β-D-GalpNAc-(1→]nChEBI
Citations