Glycosciences.de - Glycosciences.DB entry 1673

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Glycosciences.DB structure entry #1673:

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 a-D-GalpNAc-(1-3)+
                  |
             b-D-Galp-(1-4)-b-D-GlcpNAc-(1-6)+
                  |                          |
    a-L-Fucp-(1-2)+                       D-GalNAc-ol
                                             |
                               b-D-Galp-(1-3)+


RES
1b:o-dgal-HEX-0:0|1:aldi
2s:n-acetyl
3b:b-dgal-HEX-1:5
4b:b-dglc-HEX-1:5
5s:n-acetyl
6b:b-dgal-HEX-1:5
7b:a-lgal-HEX-1:5|6:d
8b:a-dgal-HEX-1:5
9s:n-acetyl
LIN
1:1d(2+1)2n
2:1o(3+1)3d
3:1o(6+1)4d
4:4d(2+1)5n
5:4o(4+1)6d
6:6o(2+1)7d
7:6o(3+1)8d
8:8d(2+1)9n


<?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="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="5" name="n-acetyl" />
 <basetype id="6" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="7" 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="8" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <substituent id="9" 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="1" child="4">
 <linkage id="3" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="4" parent="4" child="5">
 <linkage id="4" parentType="d" childType="n">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="5" parent="4" child="6">
 <linkage id="5" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="6" parent="6" child="7">
 <linkage id="6" parentType="o" childType="d">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="7" parent="6" child="8">
 <linkage id="7" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="8" parent="8" child="9">
 <linkage id="8" 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)
Lactosamine (Show) (Search Database)

General Structure Data

Chemical Formula:
Molec. Weight:
# Atoms:
# Residues:	6
# Heavy Atoms:

Superclasses:

Hex
Hex	3
dHex	1
HexNAc	2

Residues:

Residue	Count
A-D-GALPNAC	1
A-L-FUCP	1
B-D-GALP	2
B-D-GLCPNAC	1
D-GALNAC-OL	1

NMR Proton Chemical Shift Info

MHz	300
Temperature	297
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
D-GalNAc-ol		H1	3.770	1	2	7.3
D-GalNAc-ol		H2	4.392	2	3	1.4
D-GalNAc-ol		H3	4.077	3	4	10.4
D-GalNAc-ol		H4	3.468	4	5	1.2
D-GalNAc-ol		H5	4.270	5	6	7
D-GalNAc-ol		H6	3.940			0
D-GalNAc-ol		H6'	3.710			0
D-GalNAc-ol		NAC	2.046			0
b-D-GlcpNAc	6	H1	4.533	1	2	8
b-D-GlcpNAc	6	H2	3.759	2	3	9.6
b-D-GlcpNAc	6	H3	3.700			0
b-D-GlcpNAc	6	H4	3.740	4	5	9.5
b-D-GlcpNAc	6	H5	3.461	5	6	5.9
b-D-GlcpNAc	6		0.000	5	6'	2.2
b-D-GlcpNAc	6	H6	4.000	6	6'	11.8
b-D-GlcpNAc	6	H6'	3.810			0
b-D-GlcpNAc	6	NAC	2.066			0
b-D-Galp	4,6	H1	4.594	1	2	7.3
b-D-Galp	4,6	H2	3.903	2	3	10.3
b-D-Galp	4,6	H3	3.977	3	4	3.4
b-D-Galp	4,6	H4	4.226	4	5	1
b-D-Galp	4,6	H5	3.700			0
a-D-GalpNAc	3,4,6	H1	5.175	1	2	3.7
a-D-GalpNAc	3,4,6	H2	4.230	2	3	11.4
a-D-GalpNAc	3,4,6	H3	3.900	3	4	3.6
a-D-GalpNAc	3,4,6	H4	4.010	4	5	1
a-D-GalpNAc	3,4,6	H5	4.210			0
a-D-GalpNAc	3,4,6	H6	3.765			0
a-D-GalpNAc	3,4,6	NAC	2.046			0
a-L-Fucp	2,4,6	H1	5.348	1	2	3.7
a-L-Fucp	2,4,6	H2	3.810	2	3	10.3
a-L-Fucp	2,4,6	H3	3.659	3	4	3
a-L-Fucp	2,4,6	H4	3.835	4	5	1
a-L-Fucp	2,4,6	H5	4.319	5	6	6.6
a-L-Fucp	2,4,6	CH3	1.248			0
b-D-Galp	3	H1	4.462	1	2	8.1
b-D-Galp	3	H2	3.573	2	3	10
b-D-Galp	3	H3	3.667	3	4	3.3
b-D-Galp	3	H4	3.895	4	5	1
b-D-Galp	3	H5	3.700			0

Literature references: 2

1 - 2 of 2 literature references

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 #9592

Dua VK; Rao BNN; Wu SS; Dube VE; Bush CA

Characterization of the oligosaccharide alditols from ovarian cyst mucin glycoproteins of blood-group A using high pressure liquid chromatography (HPLC) and high field 1H-NMR spectroscopy

Published 1986 in J Biol Chem, 261: 1599-1608

Reference contains 12 structures

NCBI Taxonomy ID	Scientific Name
9606	Homo sapiens

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