Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Host organism: Homo sapiens
Associated disease: neonatal necrotising enterocolitis [ICD11:
KB88 
, Life stage: neonatal];
meningitis [ICD11:
1D01 ];
septicemia [ICD11:
MA15.Y ]
The structure was elucidated in this paperNCBI PubMed ID: 25240186Publication DOI: 10.1016/j.carres.2014.07.014Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: zbigniew.kaczynski
ug.edu.pl (Z. Kaczynski)
Institutions: Faculty of Chemistry, University of Gdansk, Gdansk, Poland
The O-polysaccharide (OPS) was isolated from Cronobacter universalis NCTC 9529(T), a new species in the genus Cronobacter, which was created by the reclassification of the species Enterobacter sakazakii. Purified polysaccharide was analyzed by NMR spectroscopy ((1)H, COSY, TOCSY, ROESY, HSQC, and HSQC-TOCSY) and chemical methods. The monosaccharide derivatives were analyzed by gas chromatography and gas chromatography-mass spectrometry. These experiments enabled the type and number of monosaccharides in the repeating unit of OPS, their positions of linkages, and absolute configuration to be determined. Together the chemical analysis established a structure of the OPS of C. universalis NCTC 9529(T). [structure: see text]. OPS isolated from C. universalis was structurally characterized for the first time.
NMR, structure, O-polysaccharide, Cronobacter sakazakii, Cronobacter universalis
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.78
Compound class: O-polysaccharide
Contained glycoepitopes: IEDB_130701,IEDB_135813,IEDB_137340,IEDB_141807,IEDB_144983,IEDB_151531,IEDB_152206,IEDB_983930,SB_44,SB_67,SB_72
Methods: 13C NMR, 1H NMR, methylation, NMR-2D, GC-MS, sugar analysis, GLC, mild acid hydrolysis, SEC
Related record ID(s): 30413
NCBI Taxonomy refs (TaxIDs): 1074000Reference(s) to other database(s): GTC:G52750LL
Show glycosyltransferases
NMR conditions: in D2O at 308 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
3,3,4,2 Ac 175.23 23.18
3,3,4 aLFucpN 97.91 49.27 76.50 70.03 67.60 16.55
3,3 aDManp 101.96 69.54 71.48 76.02 72.61 63.53
3,2 Ac 175.45 23.45
3 aLFucpN 98.94 49.27 76.67 72.3 67.92 16.22
2 Ac 175.1 23.18
bDGlcpN 100.73 56.74 79.60 69.54 76.83 61.92
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
3,3,4,2 Ac - 2.04
3,3,4 aLFucpN 5.42 4.08 4.07 3.80 4.01 1.18
3,3 aDManp 5.08 3.86 4.07 4.38 4.3 3.56-3.65
3,2 Ac - 2.02
3 aLFucpN 4.98 4.28 3.98 3.81 4.41 1.15
2 Ac - 1.96
bDGlcpN 4.57 3.83 3.69 3.51 3.48 3.77-3.96
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
3,3,4,2 Ac 23.18/2.04
3,3,4 aLFucpN 97.91/5.42 49.27/4.08 76.50/4.07 70.03/3.80 67.60/4.01 16.55/1.18
3,3 aDManp 101.96/5.08 69.54/3.86 71.48/4.07 76.02/4.38 72.61/4.3 63.53/3.56-3.65
3,2 Ac 23.45/2.02
3 aLFucpN 98.94/4.98 49.27/4.28 76.67/3.98 72.3/3.81 67.92/4.41 16.22/1.15
2 Ac 23.18/1.96
bDGlcpN 100.73/4.57 56.74/3.83 79.60/3.69 69.54/3.51 76.83/3.48 61.92/3.77-3.96
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 3,3,4,2 | Ac |
| 2.04 | |
| 3,3,4 | aLFucpN | 5.42 | 4.08 | 4.07 | 3.80 | 4.01 | 1.18 |
| 3,3 | aDManp | 5.08 | 3.86 | 4.07 | 4.38 | 4.3 | 3.56
3.65 |
| 3,2 | Ac |
| 2.02 | |
| 3 | aLFucpN | 4.98 | 4.28 | 3.98 | 3.81 | 4.41 | 1.15 |
| 2 | Ac |
| 1.96 | |
| | bDGlcpN | 4.57 | 3.83 | 3.69 | 3.51 | 3.48 | 3.77
3.96 |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 3,3,4,2 | Ac | 175.23 | 23.18 | |
| 3,3,4 | aLFucpN | 97.91 | 49.27 | 76.50 | 70.03 | 67.60 | 16.55 |
| 3,3 | aDManp | 101.96 | 69.54 | 71.48 | 76.02 | 72.61 | 63.53 |
| 3,2 | Ac | 175.45 | 23.45 | |
| 3 | aLFucpN | 98.94 | 49.27 | 76.67 | 72.3 | 67.92 | 16.22 |
| 2 | Ac | 175.1 | 23.18 | |
| | bDGlcpN | 100.73 | 56.74 | 79.60 | 69.54 | 76.83 | 61.92 |
|
There is only one chemically distinct structure:
Found 
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