Glycosciences.de - Glycosciences.DB entry 278

Format: CarbBank LINUCS GlycoCT_xml


                         b-D-Galp-(1-4)+                                       a-L-Fucp-(1-6)+
                                       |                                                     |
                                  b-D-GlcpNAc-(1-2)-a-D-Manp-(1-6)+                     b-D-GlcpNAc-(1-4)-Asn
                                       |                          |                          |
                         a-L-Fucp-(1-3)+                     b-D-Manp-(1-4)-b-D-GlcpNAc-(1-4)+
                                                                  |
 a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc-(1-2)-a-D-Manp-(1-3)+


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 <sugar version="1.0">
 <residues>
 <basetype id="1" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <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-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-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="6" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="7" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="8" name="n-acetyl" />
 <basetype id="9" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="10" anomer="a" superclass="non" ringStart="2" ringEnd="6" name="a-dgro-dgal-NON-2:6|1:a|2:keto|3:d">
 <stemtype id="1" type="dgro" />
 <stemtype id="2" type="dgal" />
 <modification type="a" pos_one="1" />
 <modification type="keto" pos_one="2" />
 <modification type="d" pos_one="3" />
 </basetype>
 <substituent id="11" name="n-acetyl" />
 <basetype id="12" anomer="a" superclass="hex" ringStart="1" ringEnd="5" name="a-dman-HEX-1:5">
 <stemtype id="1" type="dman" />
 </basetype>
 <basetype id="13" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dglc-HEX-1:5">
 <stemtype id="1" type="dglc" />
 </basetype>
 <substituent id="14" name="n-acetyl" />
 <basetype id="15" 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="16" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="17" 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="d" childType="n">
 <parent pos="2" />
 <child pos="1" />
 </linkage>
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 <connection id="2" parent="1" child="3">
 <linkage id="2" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
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 <connection id="5" parent="5" child="6">
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 <connection id="6" parent="6" child="7">
 <linkage id="6" parentType="o" childType="d">
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 <connection id="7" parent="7" child="8">
 <linkage id="7" parentType="d" childType="n">
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 <connection id="8" parent="7" child="9">
 <linkage id="8" parentType="o" childType="d">
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 <child pos="1" />
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 <connection id="9" parent="9" child="10">
 <linkage id="9" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="2" />
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 <connection id="10" parent="10" child="11">
 <linkage id="10" parentType="d" childType="n">
 <parent pos="5" />
 <child pos="1" />
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 <connection id="11" parent="5" child="12">
 <linkage id="11" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
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 <connection id="12" parent="12" child="13">
 <linkage id="12" parentType="o" childType="d">
 <parent pos="2" />
 <child pos="1" />
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 </connection>
 <connection id="13" parent="13" child="14">
 <linkage id="13" parentType="d" childType="n">
 <parent pos="2" />
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 </connection>
 <connection id="14" parent="13" child="15">
 <linkage id="14" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="1" />
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 </connection>
 <connection id="15" parent="13" child="16">
 <linkage id="15" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="16" parent="1" child="17">
 <linkage id="16" parentType="o" childType="d">
 <parent pos="6" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 <aglyca>
 <historicalData>
 <entry id="0" name="ASN" toResidue="1">
 <linkage parentType="n" childType="x">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </entry>
 </historicalData>
 </aglyca>
 </sugar>

download coordinates

1 - 1 of 1 entries with matching glycan part

Structure entry #22992:

b-D-Galp-(1-4)+ | b-D-GlcpNAc-(1-2)-a-D-Manp-(1-6)+ a-L-Fucp-(1-6)+ | | | a-L-Fucp-(1-3)+ b-D-Manp-(1-4)-b-D-GlcpNAc-(1-4)-b-D-GlcpNAc | a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-b-D-GlcpNAc-(1-2)-a-D-Manp-(1-3)+

no Ref

Taxons

Lactosamine (Show) (Search Database)
N-glycan core (Show) (Search Database)
Lewis X (Show) (Search Database)

Chemical Formula:	C₈₉H₁₄₇N₇O₆₃	#C	#H	#O	#N
Molec. Weight:	2322	89	147	63	7
# Atoms:	306
# Residues:	13
# Heavy Atoms:	159

Superclasses:

Neu		Hex
NeuAc	1	Hex	5
		dHex	2
		HexNAc	4

Residues:

Residue	Count
A-D-MANP	2
A-D-NEUP5AC	1
A-L-FUCP	2
ASN	1
B-D-GALP	2
B-D-GLCPNAC	4
B-D-MANP	1

MHz	500
Temperature	300
Solvent	D2O
Note	a)Signals stemming from the main component(s) with respect to the heterogeneity of the peptide moiety. Also main components NAc = 2.016 ppm and CH3 = 1.210 ppm.
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
b-D-GlcpNAc	4	H1	5.102			0	a
b-D-GlcpNAc	4	NAC	2.006			0	a
a-L-Fucp	6,4	H1	4.877			0
a-L-Fucp	6,4	H5	4.125			0
a-L-Fucp	6,4	CH3	1.206			0	a
b-D-GlcpNAc	4,4	H1	4.682			0	a
b-D-GlcpNAc	4,4	NAC	2.094			0
b-D-Manp	4,4,4	H1	4.771			0
b-D-Manp	4,4,4	H2	4.256			0
a-D-Manp	6,4,4,4	H1	4.910			0
a-D-Manp	6,4,4,4	H2	4.112			0
b-D-GlcpNAc	2,6,4,4,4	H1	4.605			0
b-D-GlcpNAc	2,6,4,4,4	NAC	2.042			0
b-D-Galp	4,2,6,4,4,4	H1	4.447			0
a-L-Fucp	3,2,6,4,4,4	H1	5.123			0
a-L-Fucp	3,2,6,4,4,4	H5	4.829			0
a-L-Fucp	3,2,6,4,4,4	CH3	1.179			0
a-D-Manp	3,4,4,4	H1	5.134			0
a-D-Manp	3,4,4,4	H2	4.191			0
b-D-GlcpNAc	2,3,4,4,4	H1	4.605			0
b-D-GlcpNAc	2,3,4,4,4	NAC	2.069			0
b-D-Galp	4,2,3,4,4,4	H1	4.445			0
a-D-Neup5Ac	6,4,2,3,4,4,4	H3A	1.720			0
a-D-Neup5Ac	6,4,2,3,4,4,4	H3E	2.667			0
a-D-Neup5Ac	6,4,2,3,4,4,4	NAC	2.030			0