Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: functional gastrointestinal disorders [ICD11:
DD9Y 
]
The structure was elucidated in this paperNCBI PubMed ID: 19084821Publication DOI: 10.1016/j.carres.2008.11.003Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: A.N. Kondakova <annakond
gmail.com>
Institutions: N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia
The O-polysaccharide was isolated by hydrolysis of the lipopolysaccharide of Yersinia pseudotuberculosis O:2b, and studied by 1D and 2D NMR spectroscopy. The following structure of the polysaccharide was established: [structure: see text] where Abe stands for 3,6-dideoxy-D-xylo-hexose (abequose).
O-antigen, Yersinia pseudotuberculosis, bacterial polysaccharide structure, abequose
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.406, chart 1
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130648,IEDB_130701,IEDB_135513,IEDB_136045,IEDB_137473,IEDB_142489,IEDB_144562,IEDB_144983,IEDB_152206,IEDB_152214,IEDB_174333,IEDB_983930,SB_44,SB_67,SB_72,SB_86
Methods: 13C NMR, 1H NMR, NMR-2D, NMR-1D, GPC
NCBI Taxonomy refs (TaxIDs): 633Reference(s) to other database(s): GTC:G85782DS, GlycomeDB:
37279
Show glycosyltransferases
NMR conditions: in D2O at 303 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,3,3 aXAbep 101.7 65.0 34.4 70.0 68.3 16.9
3,3 aDManp 100.6 77.9 78.4 ? ? 63.2
3 aLFucp 102.8 69.0 77.6 73.0 68.3 16.7
2 Ac ? 23.9
bDGalpN 101.3 52.8 79.8 69.3 76.1 62.0
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,3 aXAbep 5.11 4.00 1.98-2.07 3.88 4.23 1.18
3,3 aDManp 5.14 4.20 4.04 3.98 3.75 3.62-3.91
3 aLFucp 5.05 3.88 4.05 3.98 4.17 1.22
2 Ac - 2.05
bDGalpN 4.57 4.08 3.79 4.02 3.69 3.76
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,3 aXAbep 101.7/5.11 65.0/4.00 34.4/1.98-2.07 70.0/3.88 68.3/4.23 16.9/1.18
3,3 aDManp 100.6/5.14 77.9/4.20 78.4/4.04 ?/3.98 ?/3.75 63.2/3.62-3.91
3 aLFucp 102.8/5.05 69.0/3.88 77.6/4.05 73.0/3.98 68.3/4.17 16.7/1.22
2 Ac 23.9/2.05
bDGalpN 101.3/4.57 52.8/4.08 79.8/3.79 69.3/4.02 76.1/3.69 62.0/3.76
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,3 | aXAbep | 5.11 | 4.00 | 1.98
2.07 | 3.88 | 4.23 | 1.18 |
| 3,3 | aDManp | 5.14 | 4.20 | 4.04 | 3.98 | 3.75 | 3.62
3.91 |
| 3 | aLFucp | 5.05 | 3.88 | 4.05 | 3.98 | 4.17 | 1.22 |
| 2 | Ac |
| 2.05 | |
| | bDGalpN | 4.57 | 4.08 | 3.79 | 4.02 | 3.69 | 3.76 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,3 | aXAbep | 101.7 | 65.0 | 34.4 | 70.0 | 68.3 | 16.9 |
| 3,3 | aDManp | 100.6 | 77.9 | 78.4 | ? | ? | 63.2 |
| 3 | aLFucp | 102.8 | 69.0 | 77.6 | 73.0 | 68.3 | 16.7 |
| 2 | Ac | ? | 23.9 | |
| | bDGalpN | 101.3 | 52.8 | 79.8 | 69.3 | 76.1 | 62.0 |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":101.7,"l":"1","c":[0,0,225]},{"s":65,"l":"2","c":[0,0,225]},{"s":34.4,"l":"3","c":[0,0,225]},{"s":70,"l":"4","c":[0,0,225]},{"s":68.3,"l":"5","c":[0,0,225]},{"s":16.9,"l":"6","c":[0,0,225]},{"s":100.6,"l":"1","c":[230,0,30]},{"s":77.9,"l":"2","c":[230,0,30]},{"s":78.4,"l":"3","c":[230,0,30]},{"s":63.2,"l":"6","c":[230,0,30]},{"s":102.8,"l":"1","c":[0,165,0]},{"s":69,"l":"2","c":[0,165,0]},{"s":77.6,"l":"3","c":[0,165,0]},{"s":73,"l":"4","c":[0,165,0]},{"s":68.3,"l":"5","c":[0,165,0]},{"s":16.7,"l":"6","c":[0,165,0]},{"s":23.9,"l":"2","c":[0,0,0]},{"s":101.3,"l":"1","c":[120,0,225]},{"s":52.8,"l":"2","c":[120,0,225]},{"s":79.8,"l":"3","c":[120,0,225]},{"s":69.3,"l":"4","c":[120,0,225]},{"s":76.1,"l":"5","c":[120,0,225]},{"s":62,"l":"6","c":[120,0,225]}])
The spectrum also has 3 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
Found 
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