Extraction of dry bacteria of Acinetobacter baumannii strain 24 by phenol-water yielded a lipopolysaccharide (LPS) that was studied by serological methods and fatty acid analysis. After immunisation of BALB/c mice with this strain, monoclonal antibody S48-3-13 (IgG(3) isotype) was obtained, which reacted with the LPS in western blot and characterized it as S-form LPS. Degradation of the LPS in aqueous 1% acetic acid followed by GPC gave the O-antigenic polysaccharide, whose structure was determined by compositional analyses and NMR spectroscopy of the polysaccharide and O-deacylated polysaccharide as [carbohydrate structure: see text] where QuiN4N is 2,4-diamino-2,4,6-trideoxyglucose and GalNAcA 2-acetamido-2-deoxygalacturonic acid. The amino group at C-4 of the QuipN4N residues is acetylated in about 2/3 of LPS molecules and (S)-3-hydroxybutyrylated in the rest

Lipopolysaccharide, NMR, LPS, structure, strain, structural, polysaccharide, analysis, group, molecule, O-antigenic, O-antigenic polysaccharide, acid, Acinetobacter, Acinetobacter baumannii, antibodies, antibody, monoclonal, monoclonal antibodies, monoclonal antibody, mice, NMR spectroscopy, bacteria, serological, spectroscopy, fatty acid, method, degradation, methods, acetylated, amino, amino group, aqueous, extraction, O-deacylated, phenol-water, S-form

13C NMR data:
Linkage	Residue	C1	C2	C3	C4	C5	C6
3,4,2	Ac
3,4,6	50%Ac
3,4	aDGlcpN	99.6	54.9	70.5	80.2	70.1	64.5
3,2	Ac
3	aDGalpNA	98.9	50.8	68.2	79.3	72.0	173.4
2	Ac
4	lS3HOBut	?	46.6	66.3	23.9
	bDQuipN4N	101.2	56.9	?	58.4	72.7	18.1


1H NMR data:
Linkage	Residue	H1	H2	H3	H4	H5	H6
3,4,2	Ac
3,4,6	50%Ac
3,4	aDGlcpN	4.88	3.85	3.75	3.65	4.30	4.04-4.04
3,2	Ac
3	aDGalpNA	5.20	4.17	3.88	4.36	4.32	-
2	Ac
4	lS3HOBut	-	2.33	4.15	1.15-1.18
	bDQuipN4N	4.61	3.68	?	3.77	3.50	1.24


1H/13C HSQC data:
Linkage	Residue	C1/H1	C2/H2	C3/H3	C4/H4	C5/H5	C6/H6
3,4,2	Ac
3,4,6	50%Ac
3,4	aDGlcpN	99.6/4.88	54.9/3.85	70.5/3.75	80.2/3.65	70.1/4.30	64.5/4.04-4.04
3,2	Ac
3	aDGalpNA	98.9/5.20	50.8/4.17	68.2/3.88	79.3/4.36	72.0/4.32	
2	Ac
4	lS3HOBut		46.6/2.33	66.3/4.15	23.9/1.15-1.18
	bDQuipN4N	101.2/4.61	56.9/3.68	?/?	58.4/3.77	72.7/3.50	18.1/1.24

The spectrum also has 2 signals at unknown positions (not plotted).

There is only one chemically distinct structure:

SVGMWSMILES3D molIonize

 

*O[C@H]1[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3[C@@H](NC(C)=O)[C@H](*)O[C@H](C)[C@H]3NC(=O)C[C@H](C)O)O[C@@H]2C(=O)O)O[C@@H]1COC(C)=O

734.709 g/mol (C₃₀H₄₆R₂N₄O₁₇, R = next and previous repeats, not counted in mol weight)