Glycosciences.de - Glycosciences.DB entry 237

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Glycosciences.DB structure entry #237:

Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


       b-D-Galp-(1-4)-b-D-GlcpNAc-(1-6)+
                                       |
                                  a-D-Manp-(1-6)+
                                       |        |
       b-D-Galp-(1-4)-b-D-GlcpNAc-(1-2)+   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
12b:b-dglc-HEX-1:5
13s:n-acetyl
14b: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
11:8o(6+1)12d
12:12d(2+1)13n
13:12o(4+1)14d


<?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>
 <basetype id="12" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="13" name="n-acetyl" />
 <basetype id="14" 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>
 <connection id="11" parent="8" child="12">
 <linkage id="11" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="12" parent="12" child="13">
 <linkage id="12" parentType="d" childType="n">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="13" parent="12" child="14">
 <linkage id="13" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

download coordinates

Corresponding entries: 1

1 - 1 of 1 entries with matching glycan part

Structure entry #11767:

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

Lactosamine (Show) (Search Database)

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General Structure Data

Chemical Formula:	C₆₈H₁₁₄N₄O₅₁	#C	#H	#O	#N
Molec. Weight:	1803	68	114	51	4
# Atoms:	237
# Residues:	10
# Heavy Atoms:	123

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Composition

Superclasses:

Hex
Hex	6
HexNAc	4

Residues:

Residue	Count
A-D-MANP	2
B-D-GALP	3
B-D-GLCPNAC	3
B-D-MANP	1
D-GLCNAC	1

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NMR Proton Chemical Shift Info

MHz	500
Temperature	300
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
D-GlcNAc		H1A	5.206			0
D-GlcNAc		H1B	4.721			0
D-GlcNAc		NACA	2.060			0
D-GlcNAc		NACB	2.057			0
b-D-Manp	4	H1(A)	4.776			0
b-D-Manp	4	H1(B)	4.770			0
b-D-Manp	4	H2(A)	4.263			0
b-D-Manp	4	H2(B)	4.252			0
a-D-Manp	6,4	H1	4.874			0
a-D-Manp	6,4	H2	4.099			0
b-D-GlcpNAc	6,6,4	H1	4.555			0
b-D-GlcpNAc	6,6,4	NAC(A)	2.039			0
b-D-GlcpNAc	6,6,4	NAC(B)	2.040			0
b-D-Galp	4,6,6,4	H1	4.481			0
b-D-GlcpNAc	2,6,4	H1	4.592			0
b-D-GlcpNAc	2,6,4	NAC(A)	2.043			0
b-D-GlcpNAc	2,6,4	NAC(B)	2.046			0
b-D-Galp	4,2,6,4	H1(A)	4.469			0
b-D-Galp	4,2,6,4	H1(B)	4.471			0
a-D-Manp	3,4	H1(A)	5.133			0
a-D-Manp	3,4	H1(B)	5.131			0
a-D-Manp	3,4	H2(A)	4.201			0
a-D-Manp	3,4	H2(B)	4.198			0
b-D-GlcpNAc	2,3,4	H1	4.585			0
b-D-GlcpNAc	2,3,4	NAC	2.057			0
b-D-Galp	4,2,3,4	H1	4.469			0