Glycosciences.de - Glycosciences.DB entry 218

Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 b-D-Galp-(1-4)-b-D-GlcpNAc-(1-2)-a-D-Manp-(1-6)+
                                                |
                                           b-D-Manp-(1-4)-D-GlcNAc
                                                |
 b-D-Galp-(1-4)-b-D-GlcpNAc-(1-2)-a-D-Manp-(1-3)+


RES
1b:x-dglc-HEX-x:x
2s:n-acetyl
3b:b-dman-HEX-1:5
4b:a-dman-HEX-1:5
5b:b-dglc-HEX-1:5
6s:n-acetyl
7b:b-dgal-HEX-1:5
8b:a-dman-HEX-1:5
9b:b-dglc-HEX-1:5
10s:n-acetyl
11b:b-dgal-HEX-1:5
LIN
1:1d(2+1)2n
2:1o(4+1)3d
3:3o(3+1)4d
4:4o(2+1)5d
5:5d(2+1)6n
6:5o(4+1)7d
7:3o(6+1)8d
8:8o(2+1)9d
9:9d(2+1)10n
10:9o(4+1)11d


<?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>
 <substituent id="2" name="n-acetyl" />
 <basetype id="3" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="4" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="5" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="6" name="n-acetyl" />
 <basetype id="7" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="8" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="9" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="10" name="n-acetyl" />
 <basetype id="11" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 </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="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="3" parent="3" child="4">
 <linkage id="3" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="4" parent="4" child="5">
 <linkage id="4" parentType="o" childType="d">
 <parent pos="2" />
 <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>
 <connection id="6" parent="5" child="7">
 <linkage id="6" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="7" parent="3" child="8">
 <linkage id="7" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="8" parent="8" child="9">
 <linkage id="8" parentType="o" childType="d">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="9" parent="9" child="10">
 <linkage id="9" parentType="d" childType="n">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="10" parent="9" child="11">
 <linkage id="10" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

download coordinates

Lactosamine (Show) (Search Database)

Chemical Formula:	C₅₄H₉₁N₃O₄₁	#C	#H	#O	#N
Molec. Weight:	1438	54	91	41	3
# Atoms:	189
# Residues:	8
# Heavy Atoms:	98

Superclasses:

Hex
Hex	5
HexNAc	3

Residues:

Residue	Count
A-D-MANP	2
B-D-GALP	2
B-D-GLCPNAC	2
B-D-MANP	1
D-GLCNAC	1

MHz	400
Temperature	300
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
D-GlcNAc		H1A	5.210			0
D-GlcNAc		H1B	4.723			0
D-GlcNAc		H2A	3.887			0
D-GlcNAc		H2B	3.717			0
D-GlcNAc		H3A	3.928			0
D-GlcNAc		H3B	3.730			0
D-GlcNAc		H4A	3.717			0
D-GlcNAc		H4B	3.709			0
D-GlcNAc		H5A	3.935			0
D-GlcNAc		H5B	3.580			0
D-GlcNAc		H6A	3.780			0
D-GlcNAc		NACA	2.061			0
D-GlcNAc		NACB	2.058			0
b-D-Manp	4	H1(A)	4.775			0
b-D-Manp	4	H1(B)	4.764			0
b-D-Manp	4	H2(A)	4.257			0
b-D-Manp	4	H2(B)	4.246			0
b-D-Manp	4	H3	3.775			0
b-D-Manp	4	H4(A)	3.803			0
b-D-Manp	4	H4(B)	3.818			0
b-D-Manp	4	H5(A)	3.576			0
b-D-Manp	4	H5(B)	3.646			0
b-D-Manp	4	H6	3.787			0
b-D-Manp	4	H6'	3.982			0
a-D-Manp	6,4	H1(A)	4.924			0
a-D-Manp	6,4	H1(B)	4.929			0
a-D-Manp	6,4	H2	4.112			0
a-D-Manp	6,4	H3(A)	3.910			0
a-D-Manp	6,4	H3(B)	3.883			0
a-D-Manp	6,4	H4	3.496			0
a-D-Manp	6,4	H5	3.621			0
a-D-Manp	6,4	H6	3.623			0
a-D-Manp	6,4	H6'	3.920			0
b-D-GlcpNAc	2,6,4	H1	4.582			0
b-D-GlcpNAc	2,6,4	H2	3.750			0
b-D-GlcpNAc	2,6,4	H3	3.709			0
b-D-GlcpNAc	2,6,4	H4	3.724			0
b-D-GlcpNAc	2,6,4	H5	3.576			0
b-D-GlcpNAc	2,6,4	H6	3.834			0
b-D-GlcpNAc	2,6,4	NAC(A)	2.049			0
b-D-GlcpNAc	2,6,4	NAC(B)	2.046			0
b-D-Galp	4,2,6,4	H1(A)	4.470			0
b-D-Galp	4,2,6,4	H1(B)	4.472			0
b-D-Galp	4,2,6,4	H2	3.535			0
b-D-Galp	4,2,6,4	H3	3.664			0
b-D-Galp	4,2,6,4	H4	3.926			0
b-D-Galp	4,2,6,4	H5	3.732			0
b-D-Galp	4,2,6,4	H6	3.740			0
b-D-Galp	4,2,6,4	H6'	3.780			0
a-D-Manp	3,4	H1	5.122			0
a-D-Manp	3,4	H2	4.191			0
a-D-Manp	3,4	H3	3.902			0
a-D-Manp	3,4	H4	3.508			0
a-D-Manp	3,4	H5	3.750			0
a-D-Manp	3,4	H6	3.623			0
b-D-GlcpNAc	2,3,4	H1	4.582			0
b-D-GlcpNAc	2,3,4	H2	3.750			0
b-D-GlcpNAc	2,3,4	H3	3.732			0
b-D-GlcpNAc	2,3,4	H4	3.724			0
b-D-GlcpNAc	2,3,4	H5	3.576			0
b-D-GlcpNAc	2,3,4	H6	3.834			0
b-D-GlcpNAc	2,3,4	H6'	3.998			0
b-D-GlcpNAc	2,3,4	NAC	2.052			0
b-D-Galp	4,2,3,4	H1	4.466			0
b-D-Galp	4,2,3,4	H2	3.535			0
b-D-Galp	4,2,3,4	H3	3.664			0
b-D-Galp	4,2,3,4	H4	3.926			0
b-D-Galp	4,2,3,4	H5	3.732			0
b-D-Galp	4,2,3,4	H6	3.740			0
b-D-Galp	4,2,3,4	H6'	3.780			0