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CHEBI:78702 - S. flexneri serotype 1a O-polysaccharide (O factor 9-positive)

ChEBI IDCHEBI:78702
ChEBI NameS. flexneri serotype 1a O-polysaccharide (O factor 9-positive)
Stars
ASCII NameS. flexneri serotype 1a 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 the (1→4) linkage of an α-D-glucosyl group to the GlcNAc residue and by addition of an acetyl group to either O-3 or O-4 of many of the RhaIII residues (65% to O-3; 25% to O-4). The structure provided is representative of that in Shigella flexneri serotype 1a and shows the most common repeating unit.
Last Modified6 June 2014
SubmitterMarcus Ennis
DownloadsMolfile
Formula(C34H55NO23)n.H2O
Net Charge0
Average Mass863.813
Monoisotopic Mass863.32705
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](NC(C)=O)[C@H](O)O[C@H](CO)[C@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[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/C34H57NO24/c1-8-16(40)21(45)29(59-33-23(47)27(53-12(5)39)17(41)9(2)51-33)34(52-8)58-28-18(42)10(3)50-32(24(28)48)57-26-15(35-11(4)38)30(49)54-14(7-37)25(26)56-31-22(46)20(44)19(43)13(6-36)55-31/h8-10,13-34,36-37,40-49H,6-7H2,1-5H3,(H,35,38)/t8-,9-,10-,13+,14+,15+,16-,17-,18-,19+,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30+,31+,32-,33-,34-/m0/s1
InChIKeyDQADPFFRYUDNIR-CUOBBGSDSA-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 1a O-polysaccharide (O factor 9-positive) (CHEBI:78702) has role antigen (CHEBI:59132)
S. flexneri serotype 1a O-polysaccharide (O factor 9-positive) (CHEBI:78702) 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)-[α-D-Glcp-(1→4)]-β-D-GlcpNAc-(1→]nChEBI
[2)-α-L-RhaIII3/4Ac-(1→2)-α-L-RhaII-(1→3)-α-L-RhaI-(1→3)-[α-D-Glc-(1→4)]-β-D-GlcNAc-(1→]nChEBI
Citations