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Taxonomic group: bacteria / Proteobacteria (Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11: XN6P4

]

The structure was elucidated in this paper
NCBI PubMed ID: 1394326
Publication DOI: 10.1016/0008-6215(92)84005-d
Journal NLM ID: 0043535
Publisher: Elsevier
Institutions: Chemistry Department, University of British Columbia, Vancouver, Canada

The structure of the capsular antigen from Escherichia coli O8:K46:H30 was elucidated by methylation analysis and 1D and 2D 1H- and 13C-NMR spectroscopy, and by methylation analysis, 1D- and 2D-NMR spectroscopy, and FABMS of the oligosaccharide-alditol obtained after dephosphorylation of the polymer with aqueous hydrofluoric acid. The capsular polymer is of the teichoic acid type and has the following repeating unit. [Formula: see text].

Structure type: oligomer
Location inside paper: p.47, table IV
Compound class: K-antigen
Contained glycoepitopes: IEDB_135813,IEDB_136044,IEDB_136105,IEDB_137340,IEDB_137472,IEDB_1391962,IEDB_141794,IEDB_141807,IEDB_142078,IEDB_142488,IEDB_143794,IEDB_146664,IEDB_150899,IEDB_151531,IEDB_153218,IEDB_190606,IEDB_225177,IEDB_885823,IEDB_983931,SB_137,SB_165,SB_166,SB_187,SB_192,SB_195,SB_29,SB_7,SB_88

Methods: 13C NMR, 1H NMR, NMR-2D, FAB-MS, 31P NMR, GLC, HF treatment
Comments, role: NMR temperature was not specified; dephosphorylated major product (DP).

Related record ID(s): 116756
NCBI Taxonomy refs (TaxIDs): 562
Reference(s) to other database(s): GTC:G22515PD
Show glycosyltransferases

NMR conditions: in D2O [as TSV]

13C NMR data:
missing...
1H NMR data:
Linkage	Residue	H1	H2	H3	H4	H5	H6
2,3,3,2	bDGlcp	4.814	3.304	3.514	3.421	3.422	3.744-3.939
2,3,3	bDGalp	4.596	3.791	3.858	4.123	3.925	?
2,3,2	Ac
2,3	bDGlcpN	4.797	3.816	3.933	3.599	3.488	3.778-3.778
2	aLRhap	4.973	4.218	3.876	3.514	3.864	1.290
	x?Gro

¹H NMR data:

Linkage	Residue	H1	H2	H3	H4	H5	H6
2,3,3,2	bDGlcp	4.814	3.304	3.514	3.421	3.422	3.744 3.939
2,3,3	bDGalp	4.596	3.791	3.858	4.123	3.925	?
2,3,2	Ac
2,3	bDGlcpN	4.797	3.816	3.933	3.599	3.488	3.778 3.778
2	aLRhap	4.973	4.218	3.876	3.514	3.864	1.290
	x?Gro

There is only one chemically distinct structure:

CC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](OC(CO)CO)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

SVG MW SMILES 3D mol Ionize