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Glycosciences.DB structure entry #639:

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 a-D-GalpNAc-(1-3)+
                  |
             b-D-Galp-(1-3)-D-GalNAc-ol
                  |
    a-L-Fucp-(1-2)+


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>

SNFG-style Graphics

3D Structure Model

download coordinates

Blood Group A Antigen (Show) (Search Database)

General Structure Data

Chemical Formula:
Molec. Weight:
# Atoms:
# Residues:	4
# Heavy Atoms:

Superclasses:

Hex
Hex	2
dHex	1
HexNAc	1

Residues:

Residue	Count
A-D-GALPNAC	1
A-L-FUCP	1
B-D-GALP	1
D-GALNAC-OL	1

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: 11

1 - 5 of 11 literature references

Physicochemical analyses of oligosaccharide determinants of glycoproteins

Published 1994 in Adv Carbohydr Chem Biochem, 50: 311-350

Reference contains 70 structures

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

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

NCBI Taxonomy ID	Scientific Name
9606	Homo sapiens
10114	Rattus
9823	Sus scrofa

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