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Glycosciences.DB structure entry #1271:

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


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


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


<?xml version="1.0" encoding="UTF-8"?>
 <sugar version="1.0">
 <residues>
 <basetype id="1" anomer="x" superclass="hex" ringStart="-1" ringEnd="-1" name="x-dglc-HEX-x:x">
 <stemtype id="1" type="dglc" />
 </basetype>
 <basetype id="2" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="3" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="4" name="n-acetyl" />
 <basetype id="5" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="6" 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="7" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <substituent id="8" name="n-acetyl" />
 <basetype id="9" 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>
 </residues>
 <linkages>
 <connection id="1" parent="1" child="2">
 <linkage id="1" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="2" parent="2" 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="d" childType="n">
 <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="o" childType="d">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="6" parent="5" child="7">
 <linkage id="6" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="7" parent="7" child="8">
 <linkage id="7" parentType="d" childType="n">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="8" parent="3" child="9">
 <linkage id="8" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

SNFG-style Graphics

3D Structure Model

download coordinates

Lewis A internal (Show) (Search Database)
Lewis B internal (Show) (Search Database)
Blood Group A Antigen (Show) (Search Database)

General Structure Data

Chemical Formula:	C₄₆H₇₈N₂O₃₄		#C	#H	#O	#N
Molec. Weight:	1202		46	78	34	2
# Atoms:	160
# Residues:	7
# Heavy Atoms:	82

Superclasses:

Hex
Hex	3
dHex	2
HexNAc	2

Residues:

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

NMR Proton Chemical Shift Info

MHz	400
Temperature	300
Solvent	D2O
Note	a)Assignment in article was not correct.
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
D-Glc		H1A	5.218			0
D-Glc		H1B	4.658			0
D-Glc		H2A	3.576			0
D-Glc		H2B	3.278			0
D-Glc		H3A	3.827			0
D-Glc		H3B	3.636			0
D-Glc		H4A	3.630			0
D-Glc		H4B	3.640			0
D-Glc		H5A	3.940			0
D-Glc		H5B	3.610			0
D-Glc		H6A	3.860			0
D-Glc		H6B	3.955			0
b-D-Galp	4	H1	4.417			0
b-D-Galp	4	H2	3.558			0
b-D-Galp	4	H3	3.706			0
b-D-Galp	4	H4	4.136			0
b-D-Galp	4	H5	3.560			0
b-D-Galp	4	H6	3.720			0
b-D-GlcpNAc	3,4	H1(A)	4.604			0
b-D-GlcpNAc	3,4	H1(B)	4.600			0
b-D-GlcpNAc	3,4	H2	3.852			0
b-D-GlcpNAc	3,4	H3	4.170			0
b-D-GlcpNAc	3,4	H4	3.740			0
b-D-GlcpNAc	3,4	H5	3.536			0
b-D-GlcpNAc	3,4	H6	3.880			0
b-D-GlcpNAc	3,4	H6'	3.955			0	a
b-D-GlcpNAc	3,4	NAC	2.062			0
a-L-Fucp	4,3,4	H1	5.034			0
a-L-Fucp	4,3,4	H2	3.813			0
a-L-Fucp	4,3,4	H3	3.911			0
a-L-Fucp	4,3,4	H4	3.806			0
a-L-Fucp	4,3,4	H5	4.853			0
a-L-Fucp	4,3,4	CH3	1.292			0
b-D-Galp	3,3,4	H1	4.712			0
b-D-Galp	3,3,4	H2	3.820			0
b-D-Galp	3,3,4	H3	3.879			0
b-D-Galp	3,3,4	H4	4.166			0
b-D-Galp	3,3,4	H5	3.538			0
b-D-Galp	3,3,4	H6	3.755			0
a-D-GalpNAc	3,3,3,4	H1	5.218			0
a-D-GalpNAc	3,3,3,4	H2	4.172			0
a-D-GalpNAc	3,3,3,4	H3	3.960			0
a-D-GalpNAc	3,3,3,4	H4	3.970			0
a-D-GalpNAc	3,3,3,4	H5	4.308			0
a-D-GalpNAc	3,3,3,4	H6	3.740			0
a-D-GalpNAc	3,3,3,4	NAC	2.023			0
a-L-Fucp	2,3,3,4	H1	5.208			0
a-L-Fucp	2,3,3,4	H2	3.742			0
a-L-Fucp	2,3,3,4	H3	3.668			0
a-L-Fucp	2,3,3,4	H4	3.762			0
a-L-Fucp	2,3,3,4	H5	4.390			0
a-L-Fucp	2,3,3,4	CH3	1.292			0

Literature references: 17

1 - 5 of 17 literature references

Reference #6016

Oligosaccharides that mediate mammalian cell-cell adhesion

Published 1993 in Curr Opin Struct Biol, 3: 701-710

Reference contains 34 structures

Reference #13761

Boren T; Falk P; Roth KA; Larson G; Normark S

Attachment of Helicobacter pylori to human gastric epithelium mediated by blood group antigens

Published 1993 in Science, 262: 1892-1895

Reference contains 7 structures

Reference #7763

Strecker G; Wieruszeski JC; Michalski JC; Montreuil J

Complete Analysis of the 1H- and 13C-NMR Spectra of Four Blood-group A Active Oligosaccharides

Published 1989 in Glycoconj J, 6: 271-284

Reference contains 4 structures

Reference #1345

Stoll MS; Mizuochi T; Childs RA; Feizi T

Improved procedure for the construction of neoglycolipids having antigenic and lectin-binding activities, from reducing oligosaccharides

Published 1988 in Biochem J, 256: 661-664

Reference contains 7 structures

Reference #4142

Sueyoshi S; Tsuji T; Osawa T

Carbohydrate-binding specificities of five lectins that bind to O-glycosyl-linked carbohydrate chains. Quantitative analysis by frontal-affinity chromatography

Published 1988 in Carbohydr Res, 178: 213-224

Reference contains 3 structures

NCBI Taxonomy ID	Scientific Name
9606	Homo sapiens

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