Taxonomic group: bacteria / Proteobacteria
(Phylum: Proteobacteria)
Associated disease: infection due to Acinetobacter [ICD11:
XN25B 
]
The structure was elucidated in this paperNCBI PubMed ID: 9151981Journal NLM ID: 0107600Publisher: Oxford, UK: Blackwell Science Ltd. on behalf of the Federation of European Biochemical Societies
Institutions: Division of Medical and Biochemical Microbiology, Research Centre Borstel, Centre for Medicine and Biosciences, Germany.
Water-soluble lipopolysaccharide (phenol/water extraction) isolated from Acinetobacter strain 90, which belongs to DNA group 10, was hydrolysed with 1% acetic acid, ultracentrifuged, and water-soluble products finally eluted from a Sephadex G-50 column. The major fraction, a polysaccharide, contained D-Gal, D-GlcNAc, D-GalNAc, and 4,6-dideoxy-4-[(R)-3-hydroxybutyramido]-D-galactose (Fuc4NBuOH). The polysaccharide was characterised by means of monosaccharide analyses, Smith-degradation, N-deacetylation/deamination, and NMR studies, and was shown to have a branched pentasaccharide repeating unit. [structure in text] This structure was specifically recognised in western blots and enzyme immunoassays by polyclonal rabbit antisera.
Lipopolysaccharide, O-antigen, Acinetobacter
Structure type: polymer chemical repeating unit
Location inside paper: Abstract, structure 4
Compound class: O-polysaccharide, O-antigen
Contained glycoepitopes: IEDB_130648,IEDB_135813,IEDB_136906,IEDB_137340,IEDB_137472,IEDB_137473,IEDB_141794,IEDB_141807,IEDB_144988,IEDB_144989,IEDB_151528,IEDB_151531,IEDB_190606,SB_173,SB_21,SB_7
Methods: NMR, Smith degradation, de-N-acetylation/deamination
Related record ID(s): 536, 537
NCBI Taxonomy refs (TaxIDs): 472
Show glycosyltransferases
NMR conditions: in D2O at 333 K
[as TSV]
13C NMR data:
Linkage Residue C1 C2 C3 C4 C5 C6
4,3,3 aDGalp 100.76 69.34 80.63 70.65 72.22 ?
4,3,2 Ac
4,3 bDGlcpN 104.42 55.84 81.20 72.79 77.00 ?
4,4,4 lR3HOBut ? 46.39 66.67 23.73
4,4 aDFucp4N 100.35 70.65 70.17 55.64 67.21 17.65
4 aDGalp 102.37 70.40 78.94 76.86 73.29 ?
2 Ac
bDGalpN 104.92 54.57 72.31 79.10 76.51 ?
1H NMR data:
Linkage Residue H1 H2 H3 H4 H5 H6
4,3,3 aDGalp 5.47 3.92 3.92 4.20 3.92 ?
4,3,2 Ac
4,3 bDGlcpN 4.81 3.92 3.79 3.74 3.49 3.75-3.95
4,4,4 lR3HOBut - 2.56 4.31 1.29
4,4 aDFucp4N 5.02 3.70 4.04 4.33 4.75 1.13
4 aDGalp 5.06 4.05 4.15 4.31 4.42 3.76-?
2 Ac
bDGalpN 4.76 4.04 3.87 4.15 3.78 ?
1H/13C HSQC data:
Linkage Residue C1/H1 C2/H2 C3/H3 C4/H4 C5/H5 C6/H6
4,3,3 aDGalp 100.76/5.47 69.34/3.92 80.63/3.92 70.65/4.20 72.22/3.92 ?/?
4,3,2 Ac
4,3 bDGlcpN 104.42/4.81 55.84/3.92 81.20/3.79 72.79/3.74 77.00/3.49 ?/3.75-3.95
4,4,4 lR3HOBut 46.39/2.56 66.67/4.31 23.73/1.29
4,4 aDFucp4N 100.35/5.02 70.65/3.70 70.17/4.04 55.64/4.33 67.21/4.75 17.65/1.13
4 aDGalp 102.37/5.06 70.40/4.05 78.94/4.15 76.86/4.31 73.29/4.42 ?/3.76-?
2 Ac
bDGalpN 104.92/4.76 54.57/4.04 72.31/3.87 79.10/4.15 76.51/3.78 ?/?
1H NMR data:
| Linkage | Residue | H1 | H2 | H3 | H4 | H5 | H6 |
|---|
| 4,3,3 | aDGalp | 5.47 | 3.92 | 3.92 | 4.20 | 3.92 | ? |
| 4,3,2 | Ac | |
| 4,3 | bDGlcpN | 4.81 | 3.92 | 3.79 | 3.74 | 3.49 | 3.75
3.95 |
| 4,4,4 | lR3HOBut |
| 2.56 | 4.31 | 1.29 | |
| 4,4 | aDFucp4N | 5.02 | 3.70 | 4.04 | 4.33 | 4.75 | 1.13 |
| 4 | aDGalp | 5.06 | 4.05 | 4.15 | 4.31 | 4.42 | 3.76
? |
| 2 | Ac | |
| | bDGalpN | 4.76 | 4.04 | 3.87 | 4.15 | 3.78 | ? |
|
13C NMR data:
| Linkage | Residue | C1 | C2 | C3 | C4 | C5 | C6 |
|---|
| 4,3,3 | aDGalp | 100.76 | 69.34 | 80.63 | 70.65 | 72.22 | ? |
| 4,3,2 | Ac | |
| 4,3 | bDGlcpN | 104.42 | 55.84 | 81.20 | 72.79 | 77.00 | ? |
| 4,4,4 | lR3HOBut | ? | 46.39 | 66.67 | 23.73 | |
| 4,4 | aDFucp4N | 100.35 | 70.65 | 70.17 | 55.64 | 67.21 | 17.65 |
| 4 | aDGalp | 102.37 | 70.40 | 78.94 | 76.86 | 73.29 | ? |
| 2 | Ac | |
| | bDGalpN | 104.92 | 54.57 | 72.31 | 79.10 | 76.51 | ? |
|
![](nmr_drawer.py?width=750&height=130&nucleus=C&rotate_labels=false&spectrum=[{"s":100.76,"l":"1","c":[0,0,225]},{"s":69.34,"l":"2","c":[0,0,225]},{"s":80.63,"l":"3","c":[0,0,225]},{"s":70.65,"l":"4","c":[0,0,225]},{"s":72.22,"l":"5","c":[0,0,225]},{"s":104.42,"l":"1","c":[230,0,30]},{"s":55.84,"l":"2","c":[230,0,30]},{"s":81.2,"l":"3","c":[230,0,30]},{"s":72.79,"l":"4","c":[230,0,30]},{"s":77,"l":"5","c":[230,0,30]},{"s":46.39,"l":"2","c":[0,165,0]},{"s":66.67,"l":"3","c":[0,165,0]},{"s":23.73,"l":"4","c":[0,165,0]},{"s":100.35,"l":"1","c":[120,0,225]},{"s":70.65,"l":"2","c":[120,0,225]},{"s":70.17,"l":"3","c":[120,0,225]},{"s":55.64,"l":"4","c":[120,0,225]},{"s":67.21,"l":"5","c":[120,0,225]},{"s":17.65,"l":"6","c":[120,0,225]},{"s":102.37,"l":"1","c":[0,192,255]},{"s":70.4,"l":"2","c":[0,192,255]},{"s":78.94,"l":"3","c":[0,192,255]},{"s":76.86,"l":"4","c":[0,192,255]},{"s":73.29,"l":"5","c":[0,192,255]},{"s":104.92,"l":"1","c":[220,0,180]},{"s":54.57,"l":"2","c":[220,0,180]},{"s":72.31,"l":"3","c":[220,0,180]},{"s":79.1,"l":"4","c":[220,0,180]},{"s":76.51,"l":"5","c":[220,0,180]}])
The spectrum also has 5 signals at unknown positions (not plotted). |
There is only one chemically distinct structure:
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Found 1 record.
Displayed record 1
