Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Escherichia coli [ICD11:
XN6P4 
]
The structure was elucidated in this paperJournal NLM ID: 0043535Publisher: Elsevier
Institutions: Department of Biological Chemistry, Indian Association for the Cultivation of Sciences, Calcutta, India
Lipopolysaccharide, NMR, LPS, structure, chain, side chain, Escherichia, Escherichia coli, O-specific, Escherichia coli O128
Structure type: suggested polymer biological repeating unit
Location inside paper: abstract
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130648,IEDB_134627,IEDB_136044,IEDB_136045,IEDB_136906,IEDB_137472,IEDB_137473,IEDB_141794,IEDB_142489,IEDB_144562,IEDB_144990,IEDB_147450,IEDB_150767,IEDB_150948,IEDB_151528,IEDB_152214,IEDB_153553,IEDB_167071,IEDB_174333,IEDB_190606,IEDB_241096,IEDB_461711,IEDB_461719,SB_154,SB_165,SB_166,SB_187,SB_195,SB_23,SB_24,SB_25,SB_7,SB_8,SB_86,SB_88
Methods: NMR
Comments, role: chemical repeat frame is different in the paper; biological repeat frame was based on [PMID:14550554]
Related record ID(s): 7240, 8302, 20681, 22685, 22801
NCBI Taxonomy refs (TaxIDs): 1450177Reference(s) to other database(s): GTC:G12611FV, GlycomeDB:
26360
Show glycosyltransferases
NMR conditions: in D2O at 343 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,4,3,2 aLFucp 100.4 69.5 70.9 73.1 68.0 16.5
3,4,3 bDGalp 103.3 77.3 74.9 70.0 74.2 69.3
3,4,2 Ac
3,4 bDGalpN 104.7 52.8 78.2 69.6 75.9 62.4
3 aDGalp 96.9 69.6 70.5 78.0 71.9 61.5
2 Ac
bDGalpN 102.6 51.9 77.2 65.4 76.1 62.4
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,4,3,2 aLFucp 5.24 3.78 3.66 3.73 4.22 1.21
3,4,3 bDGalp 4.61 3.65 3.81 3.90 3.77 3.79
3,4,2 Ac - 2.045
3,4 bDGalpN 4.53 3.99 3.90 4.05 3.68 3.80
3 aDGalp 5.08 3.68 3.87 4.11 3.82 ?
2 Ac - 2.045
bDGalpN 4.59 4.03 3.81 4.15 3.66 3.8
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,4,3,2 aLFucp 100.4/5.24 69.5/3.78 70.9/3.66 73.1/3.73 68.0/4.22 16.5/1.21
3,4,3 bDGalp 103.3/4.61 77.3/3.65 74.9/3.81 70.0/3.90 74.2/3.77 69.3/3.79
3,4,2 Ac NMR TSV error 2: unequal length of 13C and 1H datasets
3,4 bDGalpN 104.7/4.53 52.8/3.99 78.2/3.90 69.6/4.05 75.9/3.68 62.4/3.80
3 aDGalp 96.9/5.08 69.6/3.68 70.5/3.87 78.0/4.11 71.9/3.82 61.5/?
2 Ac NMR TSV error 2: unequal length of 13C and 1H datasets
bDGalpN 102.6/4.59 51.9/4.03 77.2/3.81 65.4/4.15 76.1/3.66 62.4/3.8
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,4,3,2 | aLFucp | 5.24 | 3.78 | 3.66 | 3.73 | 4.22 | 1.21 |
| 3,4,3 | bDGalp | 4.61 | 3.65 | 3.81 | 3.90 | 3.77 | 3.79 |
| 3,4,2 | Ac |
| 2.045 | |
| 3,4 | bDGalpN | 4.53 | 3.99 | 3.90 | 4.05 | 3.68 | 3.80 |
| 3 | aDGalp | 5.08 | 3.68 | 3.87 | 4.11 | 3.82 | ? |
| 2 | Ac |
| 2.045 | |
| | bDGalpN | 4.59 | 4.03 | 3.81 | 4.15 | 3.66 | 3.8 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,4,3,2 | aLFucp | 100.4 | 69.5 | 70.9 | 73.1 | 68.0 | 16.5 |
| 3,4,3 | bDGalp | 103.3 | 77.3 | 74.9 | 70.0 | 74.2 | 69.3 |
| 3,4,2 | Ac | |
| 3,4 | bDGalpN | 104.7 | 52.8 | 78.2 | 69.6 | 75.9 | 62.4 |
| 3 | aDGalp | 96.9 | 69.6 | 70.5 | 78.0 | 71.9 | 61.5 |
| 2 | Ac | |
| | bDGalpN | 102.6 | 51.9 | 77.2 | 65.4 | 76.1 | 62.4 |
|
There is only one chemically distinct structure:
Found 
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