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1. (Article ID: 1262)
Stenutz R, Jansson P, Widmalm G
Computer-assisted structural analysis of oligo- and polysaccharides: An extension of CASPER to multibranched structures
Carbohydrate Research 306(1-2) (1998)
11-17
The CASPER program which is used for determination of the structure of oligo- and polysaccharides has been extended. It can now handle a reduced number of experimental signals from an NMR spectrum in the comparison to the simulated spectra of structures that it generates, an improvement which is of practical importance since all signals in NMR spectra cannot always be identified. Furthermore, the program has been enhanced to simulate NMR spectra of multibranched oligo- and polysaccharides. The new developments were tested on four saccharides of known structure but of different complexity and were shown to predict the correct structures.
Lipopolysaccharide, NMR, structure, branched, structural, polysaccharide, analysis, Shigella flexneri, capsular polysaccharide, Klebsiella, structural analysis, polysaccharides, calculation, computer, glycopeptide, Aeromonas caviae, CASPER
NCBI PubMed ID: 9691437Journal NLM ID: 0043535Publisher: Elsevier
Institutions: Department of Organic Chemistry, Arrhenius Laboratory, Stockholm University, Stockholm, Sweden, Clinical Research Centre, Analytical Unit, Karolinska Institute, Huddinge Hospital, NOVUM, S-141 86 Huddinge, Sweden
Methods: NMR simulation
The publication contains the following compound(s):
- Compound ID: 3412
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a-D-Galp-(1-2)-+
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b-D-GlcpA-(1-4)-+ |
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-3)-b-D-Glcp-(1-3)-b-D-Galp-(1-3)-a-D-Galp-(1- |
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Structure type: polymer chemical repeating unit
Compound class: CPS
Reference(s) to other database(s): GTC:G89285LO, GlycomeDB:
16094
- Compound ID: 3383
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a-D-Glcp-(1-6)-+
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-2)-a-L-Rhap-(1-2)-a-L-Rhap-(1-3)-a-L-Rhap-(1-3)-b-D-GlcpNAc-(1- |
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Structure type: suggested polymer biological repeating unit
Compound class: O-polysaccharide, O-antigen
Reference(s) to other database(s): GTC:G27937NZ, GlycomeDB:
3533
- Compound ID: 2715
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a-L-Rhap-(1-3)-+
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-6)-b-D-ManpNAc-(1-4)-b-D-GlcpA-(1-3)-b-D-GalpNAc-(1-
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b-D-Galp-(1-4)-+ |
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Structure type: polymer chemical repeating unit
Trivial name: side-chain polysaccharide
Compound class: O-polysaccharide
Reference(s) to other database(s): GTC:G10019QJ, GlycomeDB:
26518
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