Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperNCBI PubMed ID: 8864232Publication DOI: 10.1016/S0008-6215(96)00168-1Journal NLM ID: 0043535Publisher: Elsevier
Institutions: Department of Organic Chemisto, Arrhenius Laboratoo, Stockholm University, Stockholm, Sweden, Karolinska Institute, Department of Immunology, Microbiology Pathology and Infectious Diseases, Diuision of Clinical Bacteriology, Huddinge Unit,ersity Hospital, S- 141 86 Huddinge, Sweden
no abstract
Lipopolysaccharide, NMR, LPS, structure, strain, structural, polysaccharide, O-antigen, analysis, O antigen, Escherichia, Escherichia coli, determination, NMR spectroscopy, uronic acid, spectroscopy, component, Structure determination, 2-amino-1, 3-propanediol
Structure type: suggested polymer biological repeating unit
Location inside paper: p.214, 5
Compound class: O-polysaccharide
Contained glycoepitopes: IEDB_115136,IEDB_130648,IEDB_135813,IEDB_137340,IEDB_137473,IEDB_1391961,IEDB_140630,IEDB_141584,IEDB_141807,IEDB_151527,IEDB_151531,IEDB_423153,IEDB_885822
Methods: NMR-2D, NMR, sugar analysis, de-O-acetylation, determination of absolute configuration
Comments, role: O-deacetylated O-specific polysaccharide; chemical repeat frame is different in the paper
Related record ID(s): 3109, 20686, 22458, 23049, 30161, 30565
NCBI Taxonomy refs (TaxIDs): 562
Show glycosyltransferases
NMR conditions: in D2O at 335 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,3,6 x?GroN 61.3 53.2 61.4
3,4,3 bDGalpA 103.4 77.4 74.6 70.1 75.3 170.9
3,4,2 Ac 174.6 23.4
3,4 aDGalpN 97.6 48.9 78.6 69.4 71.0 61.6
3 bDGlcpA 103.6 74.0 77.2 76.1 77.4 175.6
2 Ac 175.4 23.1
bDGlcpN 101.8 55.5 83.5 69.9 76.2 61.8
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,3,6 x?GroN 3.7 4.05 3.7
3,4,3 bDGalpA 4.66 3.77 3.7 4.14 4.25 -
3,4,2 Ac - 2.11
3,4 aDGalpN 5.4 4.35 4.04 4.26 4.00 3.73-3.76
3 bDGlcpA 4.50 3.38 3.71 3.81 3.81 -
2 Ac - 2.07
bDGlcpN 4.90 3.85 3.73 3.51 3.40 3.73-3.92
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,3,6 x?GroN 61.3/3.7 53.2/4.05 61.4/3.7
3,4,3 bDGalpA 103.4/4.66 77.4/3.77 74.6/3.7 70.1/4.14 75.3/4.25
3,4,2 Ac 23.4/2.11
3,4 aDGalpN 97.6/5.4 48.9/4.35 78.6/4.04 69.4/4.26 71.0/4.00 61.6/3.73-3.76
3 bDGlcpA 103.6/4.50 74.0/3.38 77.2/3.71 76.1/3.81 77.4/3.81
2 Ac 23.1/2.07
bDGlcpN 101.8/4.90 55.5/3.85 83.5/3.73 69.9/3.51 76.2/3.40 61.8/3.73-3.92
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,3,6 | x?GroN | 3.7 | 4.05 | 3.7 | |
| 3,4,3 | bDGalpA | 4.66 | 3.77 | 3.7 | 4.14 | 4.25 |
|
| 3,4,2 | Ac |
| 2.11 | |
| 3,4 | aDGalpN | 5.4 | 4.35 | 4.04 | 4.26 | 4.00 | 3.73
3.76 |
| 3 | bDGlcpA | 4.50 | 3.38 | 3.71 | 3.81 | 3.81 |
|
| 2 | Ac |
| 2.07 | |
| | bDGlcpN | 4.90 | 3.85 | 3.73 | 3.51 | 3.40 | 3.73
3.92 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,3,6 | x?GroN | 61.3 | 53.2 | 61.4 | |
| 3,4,3 | bDGalpA | 103.4 | 77.4 | 74.6 | 70.1 | 75.3 | 170.9 |
| 3,4,2 | Ac | 174.6 | 23.4 | |
| 3,4 | aDGalpN | 97.6 | 48.9 | 78.6 | 69.4 | 71.0 | 61.6 |
| 3 | bDGlcpA | 103.6 | 74.0 | 77.2 | 76.1 | 77.4 | 175.6 |
| 2 | Ac | 175.4 | 23.1 | |
| | bDGlcpN | 101.8 | 55.5 | 83.5 | 69.9 | 76.2 | 61.8 |
|
There is only one chemically distinct structure:
Found 
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