Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: diarrhea (escherichiosis) [ICD11:
ME05.1 
, ICD11:
SA55 , ICD11:
XN6P4 ];
infection due to Escherichia coli [ICD11:
XN6P4 ]
The structure was elucidated in this paperNCBI PubMed ID: 24736048Publication DOI: 10.1016/j.carres.2014.03.012Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: akmisra69
gmail.com (A.K. Misra)
Institutions: Bose Institute, Division of Molecular Medicine, P-1/12, C.I.T. Scheme VII-M, Kolkata 700 054, India
Synthesis of the pentasaccharide repeating unit of the O-antigen of Escherichia coli O13 strain has been achieved using a straightforward linear synthetic strategy. Similar reaction conditions have been used for all glycosylations as well as protective group manipulations. All intermediate steps are high yielding and the glycosylation steps are stereoselective. The synthesized pentasaccharide was subjected to conformational analysis using 2D ROESY NMR spectral analysis and molecular dynamics (MD) simulation to get detailed information on conformation of the molecule in aqueous solution.
O-antigen, Escherichia coli, conformational analysis, pentasaccharide, molecular dynamics simulation
Structure type: oligomer ; 950.3 [M+Na]+
C
39H
61NO
24Location inside paper: p.10, fig.2, compound 1
Aglycon: p-methoxyphenyl
Trivial name: repeating unit O-antigen
Contained glycoepitopes: IEDB_133753,IEDB_133754,IEDB_135813,IEDB_135849,IEDB_136105,IEDB_137340,IEDB_141807,IEDB_142488,IEDB_143253,IEDB_144998,IEDB_146664,IEDB_151531,IEDB_153213,IEDB_225177,IEDB_885823,IEDB_983931,SB_192
Methods: 13C NMR, 1H NMR, NMR-2D, TLC, ESI-MS, conformation analysis, chemical synthesis, chemical methods, MD simulations, glycosylation, molecular modeling
Synthetic data: chemical
3D data: 3D data
Related record ID(s): 30445
NCBI Taxonomy refs (TaxIDs): 562Reference(s) to other database(s): GTC:G47479JT
Show glycosyltransferases
1H NMR data: present in publication
|
13C NMR data: present in publication
|
There is only one chemically distinct structure:
Found 
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