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Glycosciences.DB structure entry #5316:

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Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-a-D-GlcpNAc-(1-O)-P


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


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

SNFG-style Graphics

3D Structure Model

download coordinates

Corresponding entries: 1

1 - 1 of 1 entries with matching glycan part

Structure entry #7305:

a-D-Neup5Ac-(2-6)-b-D-Galp-(1-4)-a-D-GlcpNAc

no NMR spectra

literature references

no GlycoMaps

Taxons

General Structure Data

Chemical Formula:
Molec. Weight:
# Atoms:
# Residues:	4
# Heavy Atoms:

Superclasses:

Neu		Hex		Other
NeuAc	1	Hex	1	P	1
		HexNAc	1

Residues:

Residue	Count
A-D-GLCPNAC	1
A-D-NEUP5AC	1
B-D-GALP	1
P	1

NMR Proton Chemical Shift Info

MHz	500
Temperature	295
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
a-D-GlcpNAc	O,4	H1	5.396	1	2	3
a-D-GlcpNAc	O,4		0.000	1	P	6.5
a-D-GlcpNAc	O,4	NAC	2.071			0
b-D-Galp	4,O,4	H1	4.444	1	2	8
a-D-Neup5Ac	6,4,O,4	H3A	1.710	3a	3e	12
a-D-Neup5Ac	6,4,O,4		0.000	3a	4	12
a-D-Neup5Ac	6,4,O,4	H3E	2.674	3e	4	4.5
a-D-Neup5Ac	6,4,O,4	NAC	2.025			0

Literature references: 3

1 - 3 of 3 literature references

Reference #5885

Brunner H; Weisshaar G; Friebolin H; Mann H; Baumann W; Sieberth HG

Isolation and identification of sialyl compounds from hemofiltrate

Published 1989 in Chromatographia, 28: 59-64

Reference contains 7 structures

Reference #2226

Weisshaar G; Baumann W; Friebolin H; Brunner H; Mann H; Sieberth HG; Opferkuch HJ

Isolation and NMR spectroscopic characteristics of sialyl compounds from hemofiltrate of chronic uremic patients

Published 1987 in Biol Chem Hoppe-Seyler, 368: 647-658

Reference contains 8 structures

Reference #6362

Parkkinen J; Finne J

Isolation and characterization of novel phosphate-containing sialyloligosaccharides from normal human urine

Published 1984 in Eur J Biochem, 140: 427-431

Reference contains 3 structures

NCBI Taxonomy ID	Scientific Name
9606	Homo sapiens

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