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Glycosciences.DB structure entry #70: Nystose

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 b-D-Fruf-(2-1)-b-D-Fruf-(2-1)-b-D-Fruf-(2-1)-a-D-Glcp


RES
1b:a-dglc-HEX-1:5
2b:b-dara-HEX-2:5|2:keto
3b:b-dara-HEX-2:5|2:keto
4b:b-dara-HEX-2:5|2:keto
LIN
1:1o(1+2)2d
2:2o(1+2)3d
3:3o(1+2)4d


<?xml version="1.0" encoding="UTF-8"?>
 <sugar version="1.0">
 <residues>
 <basetype id="1" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="2" anomer="b" superclass="hex" ringStart="2" ringEnd="5" name="b-dara-HEX-2:5|2:keto">
 <stemtype id="1" type="dara" />
 <modification type="keto" pos_one="2" />
 </basetype>
 <basetype id="3" anomer="b" superclass="hex" ringStart="2" ringEnd="5" name="b-dara-HEX-2:5|2:keto">
 <stemtype id="1" type="dara" />
 <modification type="keto" pos_one="2" />
 </basetype>
 <basetype id="4" anomer="b" superclass="hex" ringStart="2" ringEnd="5" name="b-dara-HEX-2:5|2:keto">
 <stemtype id="1" type="dara" />
 <modification type="keto" pos_one="2" />
 </basetype>
 </residues>
 <linkages>
 <connection id="1" parent="1" child="2">
 <linkage id="1" parentType="o" childType="d">
 <parent pos="1" />
 <child pos="2" />
 </linkage>
 </connection>
 <connection id="2" parent="2" child="3">
 <linkage id="2" parentType="o" childType="d">
 <parent pos="1" />
 <child pos="2" />
 </linkage>
 </connection>
 <connection id="3" parent="3" child="4">
 <linkage id="3" parentType="o" childType="d">
 <parent pos="1" />
 <child pos="2" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

SNFG-style Graphics

3D Structure Model

download coordinates

General Structure Data

Chemical Formula:	C₂₄H₄₂O₂₁		#C	#H	#O
Molec. Weight:	666		24	42	21
# Atoms:	87
# Residues:	4
# Heavy Atoms:	45

Superclasses:

Hex
Hex	4

Residues:

Residue	Count
A-D-GLCP	1
B-D-FRUF	3

NMR Proton Chemical Shift Info

MHz	360
Temperature	0
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
a-D-Glcp		H1	5.450			0
a-D-Glcp		H2	3.540			0
a-D-Glcp		H3	3.760			0
a-D-Glcp		H4	3.470			0
a-D-Glcp		H5	3.850			0
a-D-Glcp		H6	3.820			0
b-D-Fruf	1	H1	3.730			0
b-D-Fruf	1	H3	4.280			0
b-D-Fruf	1	H4	4.050			0
b-D-Fruf	1	H5	3.880			0
b-D-Fruf	1	H6	3.730			0
b-D-Fruf	1,1	H1	3.710			0
b-D-Fruf	1,1	H3	4.230			0
b-D-Fruf	1,1	H4	4.080			0
b-D-Fruf	1,1	H5	3.870			0
b-D-Fruf	1,1	H6	3.850			0
b-D-Fruf	1,1,1	H1	3.670			0
b-D-Fruf	1,1,1	H3	4.190			0
b-D-Fruf	1,1,1	H4	4.110			0
b-D-Fruf	1,1,1	H5	3.870			0
b-D-Fruf	1,1,1	H6	3.790			0

NMR Carbon Chemical Shift Info

MHz	90
Temperature	0
Solvent	D2O
Residue	Linkage	Carbon	PPM	JFrom	JTo	Hz	Note
a-D-Glcp		C1	95.02			0
a-D-Glcp		C2	73.69			0
a-D-Glcp		C3	75.14			0
a-D-Glcp		C4	71.77			0
a-D-Glcp		C5	74.96			0
a-D-Glcp		C6	62.69			0
b-D-Fruf	1	C1	63.60			0
b-D-Fruf	1	C2	105.75			0
b-D-Fruf	1	C3	79.36			0
b-D-Fruf	1	C4	76.44			0
b-D-Fruf	1	C5	83.75			0
b-D-Fruf	1	C6	64.81			0
b-D-Fruf	1,1	C1	63.41			0
b-D-Fruf	1,1	C2	105.55			0
b-D-Fruf	1,1	C3	80.05			0
b-D-Fruf	1,1	C4	77.01			0
b-D-Fruf	1,1	C5	83.60			0
b-D-Fruf	1,1	C6	64.78			0
b-D-Fruf	1,1,1	C1	62.98			0
b-D-Fruf	1,1,1	C2	106.18			0
b-D-Fruf	1,1,1	C3	79.32			0
b-D-Fruf	1,1,1	C4	76.90			0
b-D-Fruf	1,1,1	C5	83.60			0
b-D-Fruf	1,1,1	C6	64.72			0

Literature references: 11

1 - 5 of 11 literature references

Reference #2757

Muramatsu M; Nakakuki T

Enzymatic synthesis of novel fructosyl and oligofructosyl trehaloses by Aspergillus sydowi .beta.-fructofuranosidase

Published 1995 in Biosci Biotechnol Biochem, 59: 208-212

Reference contains 7 structures

Reference #7307

Monsan P; Paul F

Enzymatic synthesis of oligosaccharides

Published 1995 in FEMS Microbiol Rev, 16: 187-192

Reference contains 15 structures

Reference #4819

French AD; Mouhous-Riou N; Perez S

Computer modeling of the tetrasaccharide nystose

Published 1993 in Carbohydr Res, 247: 51-62

Reference contains 1 structure

Reference #13817

Molecular characteristics of anti-polysaccharide antibodies

Published 1993 in Springer Semin Immunopathol, 15: 103-118

Reference contains 8 structures

Reference #4779

Liu J; Waterhouse AL; Chatterton NJ

Conformational analysis of D-fructans. Paper no. 7. Proton and carbon NMR chemical-shift assignments for [.beta.-D-Fruf-(2-1)]3-(2<->1)-.alpha.-D-Glcp (nystose) and [.beta.-D-Fruf-(2-1)]4-(2<->1)-.alpha.-D-Glcp (1,1,1-kestopentaose) from two-dimensional

Published 1993 in Carbohydr Res, 245: 11-19

Reference contains 1 structure

NCBI Taxonomy ID	Scientific Name
4479	Poaceae

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