Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: urinary tract infections (UTI) [ICD11:
GC08 
];
meningitis [ICD11:
1D01 ];
septicemia [ICD11:
MA15.Y ];
infection due to Acinetobacter baumannii [ICD11:
XN8LS ]
The structure was elucidated in this paperNCBI PubMed ID: 24785392Publication DOI: 10.1016/j.carres.2014.04.002Journal NLM ID: 0043535Publisher: Elsevier
Correspondence: Y.A. Knirel <yknirel
gmail.com>
Institutions: N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russia, M. M. Shemyakin & Y. A. Ovchinnikov Institute of Bioorganic Chemistry, Russian Academy of Sciences, Moscow, Russia, State Research Center for Applied Microbiology and Biotechnology, Obolensk, Moscow Region, Russia
Capsular polysaccharide was isolated by the phenol-water extraction of Acinetobacter baumannii ACICU cells and studied by sugar analysis, partial acid hydrolysis, and 1D and 2D (1)H and (13)C NMR spectroscopy. The polysaccharide was found to contain 5,7-diacetamido-3,5,7,9-tetradeoxy-l-glycero-l-manno-non-2-ulosonic or di-N-acetylpseudaminic acid (Pse5Ac7Ac), and the following structure of the branched tetrasaccharide repeating unit was established: The genes present in the polysaccharide gene cluster of A. baumannii ACICU are appropriate to the structure established.
Acinetobacter baumannii, pseudaminic acid, capsular polysaccharide structure, polysaccharide gene cluster
Structure type: polymer chemical repeating unit
Location inside paper: abstract, p.90, chart 1, PS-1
Compound class: CPS
Contained glycoepitopes: IEDB_130648,IEDB_134627,IEDB_136044,IEDB_137472,IEDB_137473,IEDB_141794,IEDB_142488,IEDB_146664,IEDB_147450,IEDB_190606,IEDB_838988,IEDB_838989,IEDB_983931,SB_165,SB_166,SB_187,SB_192,SB_195,SB_21,SB_23,SB_24,SB_7,SB_8,SB_88
Methods: 13C NMR, 1H NMR, NMR-2D, GLC, mild acid hydrolysis, chemical methods, NMR-1D, GPC
Related record ID(s): 30453, 30454
NCBI Taxonomy refs (TaxIDs): 405416Reference(s) to other database(s): GTC:G97931NE
Show glycosyltransferases
NMR conditions: in D2O at 318 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6 C7 C8 C9
3,6,6,5 Ac 174.9-176.3 23.2-23.6
3,6,6,7 Ac 174.9-176.3 23.2-23.6
3,6,6 aXPsep 174.7 101.3 36.2 66.0 49.8 72.0 54.8 68.4 17.3
3,6 bDGlcp 104.7 74.4 76.8 70.6 75.9 63.8
3 bDGalp 105.8 71.2 82.5 69.9 74.4 71.0
2 Ac 174.9-176.3 23.2-23.6
bDGalpN 104.0 52.7 80.7 69.3 75.9 62.3
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6 H7 H8 H9
3,6,6,5 Ac - 1.96-2.04
3,6,6,7 Ac - 1.96-2.04
3,6,6 aXPsep - - 1.64-2.16 4.24 4.24 3.88 4.18 4.18 1.15
3,6 bDGlcp 4.45 3.27 3.45 3.51 3.51 3.54-3.70
3 bDGalp 4.47 3.59 3.70 4.12 3.84 3.86-3.97
2 Ac - 1.96-2.04
bDGalpN 4.70 4.03 3.89 4.17 3.67 3.77
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6 C7/H7 C8/H8 C9/H9
3,6,6,5 Ac 23.2-23.6/1.96-2.04
3,6,6,7 Ac 23.2-23.6/1.96-2.04
3,6,6 aXPsep 36.2/1.64-2.16 66.0/4.24 49.8/4.24 72.0/3.88 54.8/4.18 68.4/4.18 17.3/1.15
3,6 bDGlcp 104.7/4.45 74.4/3.27 76.8/3.45 70.6/3.51 75.9/3.51 63.8/3.54-3.70
3 bDGalp 105.8/4.47 71.2/3.59 82.5/3.70 69.9/4.12 74.4/3.84 71.0/3.86-3.97
2 Ac 23.2-23.6/1.96-2.04
bDGalpN 104.0/4.70 52.7/4.03 80.7/3.89 69.3/4.17 75.9/3.67 62.3/3.77
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 | H7 | H8 | H9 |
|---|
| 3,6,6,5 | Ac |
| 1.96
2.04 | |
| 3,6,6,7 | Ac |
| 1.96
2.04 | |
| 3,6,6 | aXPsep |
|
| 1.64
2.16 | 4.24 | 4.24 | 3.88 | 4.18 | 4.18 | 1.15 |
| 3,6 | bDGlcp | 4.45 | 3.27 | 3.45 | 3.51 | 3.51 | 3.54
3.70 | |
| 3 | bDGalp | 4.47 | 3.59 | 3.70 | 4.12 | 3.84 | 3.86
3.97 | |
| 2 | Ac |
| 1.96
2.04 | |
| | bDGalpN | 4.70 | 4.03 | 3.89 | 4.17 | 3.67 | 3.77 | |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 | C7 | C8 | C9 |
|---|
| 3,6,6,5 | Ac | 174.9
176.3 | 23.2
23.6 | |
| 3,6,6,7 | Ac | 174.9
176.3 | 23.2
23.6 | |
| 3,6,6 | aXPsep | 174.7 | 101.3 | 36.2 | 66.0 | 49.8 | 72.0 | 54.8 | 68.4 | 17.3 |
| 3,6 | bDGlcp | 104.7 | 74.4 | 76.8 | 70.6 | 75.9 | 63.8 | |
| 3 | bDGalp | 105.8 | 71.2 | 82.5 | 69.9 | 74.4 | 71.0 | |
| 2 | Ac | 174.9
176.3 | 23.2
23.6 | |
| | bDGalpN | 104.0 | 52.7 | 80.7 | 69.3 | 75.9 | 62.3 | |
|
There is only one chemically distinct structure:
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Found 1 record.
Displayed record 1
