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CHEBI:78716 - S. flexneri serotype Y O-polysaccharide (O factor 9-positive)

ChEBI IDCHEBI:78716
ChEBI NameS. flexneri serotype Y O-polysaccharide (O factor 9-positive)
Stars
ASCII NameS. flexneri serotype Y O-polysaccharide (O factor 9-positive)
DefinitionA polysaccharide derivative comprised of a [2)-α-L-RhapIII-(1→2)-α-L-RhapII-(1→3)-α-L-RhapI-(1→3)-β-D-GlcpNAc-(1→] tetrasaccharide repeat modified by addition of acetyl groups to 40% of the O-6 positions of the GlcNAc residue and to either O-3 or O-4 of many of the RhaIII residues (30% to O-3; 20% to O-4). The structure provided is representative of that in Shigella flexneri serotype Y and shows the most common repeating unit.
Last Modified6 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
Formula(C30H47NO19)n.H2O
Net Charge0
Average Mass743.709
Monoisotopic Mass743.28479
SMILES[H]O[C@H]1[C@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](C)O[C@@H](O[C@H]4[C@H](O)[C@@H](COC(C)=O)O[C@@H](O)[C@@H]4NC(C)=O)[C@@H]3O)O[C@@H](C)[C@H](O)[C@H]2O)O[C@@H](C)[C@H](O)[C@H]1OC(C)=O
InChIInChI=1S/C30H49NO20/c1-8-16(35)20(39)26(51-29-21(40)24(47-13(6)34)17(36)9(2)45-29)30(46-8)50-25-18(37)10(3)44-28(22(25)41)49-23-15(31-11(4)32)27(42)48-14(19(23)38)7-43-12(5)33/h8-10,14-30,35-42H,7H2,1-6H3,(H,31,32)/t8-,9-,10-,14+,15+,16-,17-,18-,19+,20+,21+,22+,23+,24+,25+,26+,27+,28-,29-,30-/m0/s1
InChIKeyGCEPTOROJSDCPL-UFDFQPGXSA-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 Y O-polysaccharide (O factor 9-positive) (CHEBI:78716) has role antigen (CHEBI:59132)
S. flexneri serotype Y O-polysaccharide (O factor 9-positive) (CHEBI:78716) is a polysaccharide derivative (CHEBI:65212)
Synonyms  Source
[2)-α-L-RhapIII3/4Ac-(1→2)-α-L-RhapII-(1→3)-α-L-RhapI-(1→3)-β-D-Glcp6,NAc2-(1→]nChEBI
[2)-α-L-RhaIII3/4Ac-(1→2)-α-L-RhaII-(1→3)-α-L-RhaI-(1→3)-β-D-Glc6,NAc2-(1→]nChEBI
Citations