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Glycosciences.DB structure entry #639:
a-D-GalpNAc-(1-3)+
|
b-D-Galp-(1-3)-D-GalNAc-ol
|
a-L-Fucp-(1-2)+
[][D-GALNAC-OL]{[(3+1)][B-D-GALP]{[(2+1)][A-L-FUCP]{}[(3+1)][A-D-GALPNAC]{}}}
RES
1b:o-dgal-HEX-0:0|1:aldi
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:a-lgal-HEX-1:5|6:d
5b:a-dgal-HEX-1:5
6s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:3o(2+1)4d
4:3o(3+1)5d
5:5d(2+1)6n
<?xml version="1.0" encoding="UTF-8"?>
<sugar version="1.0">
<residues>
<basetype id="1" anomer="o" superclass="hex" ringStart="0" ringEnd="0" name="o-dgal-HEX-0:0|1:aldi">
<stemtype id="1" type="dgal" />
<modification type="aldi" pos_one="1" />
</basetype>
<substituent id="2" name="n-acetyl" />
<basetype id="3" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
<stemtype id="1" type="dgal" />
</basetype>
<basetype id="4" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-lgal-HEX-1:5|6:d">
<stemtype id="1" type="lgal" />
<modification type="d" pos_one="6" />
</basetype>
<basetype id="5" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dgal-HEX-1:5">
<stemtype id="1" type="dgal" />
</basetype>
<substituent id="6" name="n-acetyl" />
</residues>
<linkages>
<connection id="1" parent="1" child="2">
<linkage id="1" parentType="d" childType="n">
<parent pos="2" />
<child pos="1" />
</linkage>
</connection>
<connection id="2" parent="1" child="3">
<linkage id="2" parentType="o" childType="d">
<parent pos="3" />
<child pos="1" />
</linkage>
</connection>
<connection id="3" parent="3" child="4">
<linkage id="3" parentType="o" childType="d">
<parent pos="2" />
<child pos="1" />
</linkage>
</connection>
<connection id="4" parent="3" child="5">
<linkage id="4" parentType="o" childType="d">
<parent pos="3" />
<child pos="1" />
</linkage>
</connection>
<connection id="5" parent="5" child="6">
<linkage id="5" parentType="d" childType="n">
<parent pos="2" />
<child pos="1" />
</linkage>
</connection>
</linkages>
</sugar>
3D Structure Model- Blood Group A Antigen (Show) (Search Database)
| Chemical Formula: | ||
| Molec. Weight: | ||
| # Atoms: | ||
| # Residues: | 4 | |
| # Heavy Atoms: | ||
Superclasses:
|
Residues:
|
||||||||||||||||||
NMR Proton Chemical Shift Info| MHz | 300 | ||||||
| Temperature | 297 | ||||||
| Solvent | D2O | ||||||
| Note | a)Line shape distorted due to virtual coupling. | ||||||
| Residue | Linkage | Proton | PPM | JFrom | JTo | Hz | Note |
| D-GalNAc-ol | H1 | 3.805 | 1 | 2 | 7 | ||
| D-GalNAc-ol | H2 | 4.304 | 2 | 3 | 2.2 | ||
| D-GalNAc-ol | H3 | 4.100 | 3 | 4 | 10.6 | ||
| D-GalNAc-ol | H4 | 3.605 | 4 | 5 | 1.5 | ||
| D-GalNAc-ol | H5 | 4.125 | 5 | 6 | 6.7 | ||
| D-GalNAc-ol | H6 | 3.675 | 0 | ||||
| D-GalNAc-ol | NAC | 2.048 | 0 | ||||
| b-D-Galp | 3 | H1 | 4.710 | 1 | 2 | 7.4 | |
| b-D-Galp | 3 | H2 | 3.904 | 2 | 3 | 10.3 | |
| b-D-Galp | 3 | H3 | 4.109 | 3 | 4 | 3.5 | |
| b-D-Galp | 3 | H4 | 4.225 | 4 | 5 | 1 | |
| b-D-Galp | 3 | H5 | 3.717 | 0 | |||
| a-D-GalpNAc | 3,3 | H1 | 5.189 | 1 | 2 | 3.8 | |
| a-D-GalpNAc | 3,3 | H2 | 4.247 | 2 | 3 | 11.4 | |
| a-D-GalpNAc | 3,3 | H3 | 3.930 | 3 | 4 | 3.4 | |
| a-D-GalpNAc | 3,3 | H4 | 4.019 | 4 | 5 | 1 | |
| a-D-GalpNAc | 3,3 | H5 | 4.156 | 5 | 6 | 5.9 | |
| a-D-GalpNAc | 3,3 | H6 | 3.770 | 0 | |||
| a-D-GalpNAc | 3,3 | NAC | 2.048 | 0 | |||
| a-L-Fucp | 2,3 | H1 | 5.389 | 0 | a | ||
| a-L-Fucp | 2,3 | H2 | 3.830 | 0 | |||
| a-L-Fucp | 2,3 | H3 | 3.830 | 0 | |||
| a-L-Fucp | 2,3 | H4 | 3.810 | 4 | 5 | 1 | |
| a-L-Fucp | 2,3 | H5 | 4.337 | 5 | 6 | 6.4 | |
| a-L-Fucp | 2,3 | CH3 | 1.237 | 0 | |||
Literature references: 111 - 5 of 11 literature references
Reference #101
Hounsell EF
Physicochemical analyses of oligosaccharide determinants of glycoproteins
Published 1994 in Adv Carbohydr Chem Biochem, 50: 311-350
Reference contains 70 structures
Reference #461
Reddy GP; Bush CA
High-performance anion exchange-chromatography of neutral milk oligosaccharides and oligosaccharide alditols derived from mucin glycoproteins
Published 1991 in Anal Biochem, 198: 278-284
Reference contains 26 structures
Reference #440
Karlsson H; Carlstedt I; Hansson GC
The use of gas chromatography and gas chromatography-mass spectrometry for the characterization of permethylated oligosaccharides with molecular mass up to 2300
Published 1989 in Anal Biochem, 182: 438-446
Reference contains 21 structures
Reference #4169
Rao BNN; Bush CA
The determination of the structure of blood-group oligosaccharides from fully assigned 1H-NMR spectra for solutions in non-aqueous solvents
Published 1988 in Carbohydr Res, 180: 111-128
Reference contains 2 structures
Reference #2025
Bretting H; Jacobs G
The reactivity of galactose oxidase with snail galactans, galactosides and D-galactose-composed oligosaccharides
Published 1987 in Biochim Biophys Acta, 913: 342-348
Reference contains 8 structures
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