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Glycosciences.DB structure entry #668: LewisA trisaccharide (beta-anomeric form)

Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


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


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


<?xml version="1.0" encoding="UTF-8"?>
 <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-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="4" 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>
 </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="4" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

download coordinates

Corresponding entries: 13

1 - 5 of 13 entries with matching glycan part

Structure entry #370:

a-L-Fucp-(1-4)+ | b-D-GlcpNAc-(1-9)-9-hydroxy-Nonanoate-(1-1)-Methyl | b-D-Galp-(1-3)+

13C: 1

: 3

Taxons: 1

Structure entry #604:

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

: 2

Taxons: 1

Structure entry #1245:

a-L-Fucp-(1-4)+ | b-D-GlcpNAc-(1-O)-<alkyl> | b-D-Galp-(1-3)+

: 1

Taxons: 1

Structure entry #3990: LewisA trisaccharide (beta-anomeric form) linked to Bovine Serum Antigen (BSA)

a-L-Fucp-(1-4)+ | b-D-GlcpNAc-(1-O)-<BSA> | b-D-Galp-(1-3)+

: 1

Taxons

Structure entry #4555:

a-L-Fucp-(1-4)+ | b-D-GlcpNAc-(1-7)-benzyl | b-D-Galp-(1-3)+

Taxons

Lewis A (Show) (Search Database)

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General Structure Data

Chemical Formula:	C₂₀H₃₅N₁O₁₅	#C	#H	#O	#N
Molec. Weight:	529	20	35	15	1
# Atoms:	71
# Residues:	3
# Heavy Atoms:	36

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Composition

Superclasses:

Hex
Hex	1
dHex	1
HexNAc	1

Residues:

Residue	Count
A-L-FUCP	1
B-D-GALP	1
B-D-GLCPNAC	1

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NMR Proton Chemical Shift Info

MHz	0
Temperature	70
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
B-D-GLCPNAC		H1	4.770				note
B-D-GLCPNAC		H2	3.860				note
B-D-GLCPNAC		H3	4.090				note
B-D-GLCPNAC		H4	3.760				note
B-D-GLCPNAC		H5	3.570				note
B-D-GLCPNAC		H6 a	3.870				note
B-D-GLCPNAC		H6 b	3.970				note
B-D-GLCPNAC		NAc	2.050				note
B-D-GALP	3	H1	4.520				note
B-D-GALP	3	H2	3.500				note
B-D-GALP	3	H3	3.620				note
B-D-GALP	3	H4	3.920				note
B-D-GALP	3	H5	3.580				note
B-D-GALP	3	H6 a	3.780				note
B-D-GALP	3	H6 b	3.780				note
A-L-FUCP	4	H1	5.030				note
A-L-FUCP	4	H2	3.820				note
A-L-FUCP	4	H3	3.890				note
A-L-FUCP	4	H4	3.800				note
A-L-FUCP	4	H5	4.780				note
A-L-FUCP	4	H6	1.210				note

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NMR Carbon Chemical Shift Info

MHz	0
Temperature	70
Solvent	D2O
Residue	Linkage	Carbon	PPM	JFrom	JTo	Hz	Note
B-D-GLCPNAC		C1	95.64				note
B-D-GLCPNAC		C2	57.92				note
B-D-GLCPNAC		C3	77.19				note
B-D-GLCPNAC		C4	73.50				note
B-D-GLCPNAC		C5	76.49				note
B-D-GLCPNAC		C6	61.12				note
B-D-GLCPNAC		CH3	23.19				note
B-D-GLCPNAC		CO	175.54				note
B-D-GALP	3	C1	103.46				note
B-D-GALP	3	C2	71.56				note
B-D-GALP	3	C3	73.46				note
B-D-GALP	3	C4	69.25				note
B-D-GALP	3	C5	75.66				note
B-D-GALP	3	C6	61.78				note
A-L-FUCP	4	C1	98.81				note
A-L-FUCP	4	C2	68.83				note
A-L-FUCP	4	C3	70.14				note
A-L-FUCP	4	C4	72.85				note
A-L-FUCP	4	C5	67.59				note
A-L-FUCP	4	C6	16.22				note