Glycosciences.de - Glycosciences.DB entry 731

☰
- Add title
- Add keywords
- Add publication
- Leave comment

Glycosciences.DB structure entry #731: GM1 glycan

■ Expand all ■ Collapse all

Format: CarbBank LINUCS GlycoCT_condensed GlycoCT_xml


 b-D-Galp-(1-3)-b-D-GalpNAc-(1-4)+
                                 |
                            b-D-Galp-(1-4)-D-Glc
                                 |
                a-D-Neup5Ac-(2-3)+


RES
1b:x-dglc-HEX-x:x
2b:b-dgal-HEX-1:5
3b:a-dgro-dgal-NON-2:6|1:a|2:keto|3:d
4s:n-acetyl
5b:b-dgal-HEX-1:5
6s:n-acetyl
7b:b-dgal-HEX-1:5
LIN
1:1o(4+1)2d
2:2o(3+2)3d
3:3d(5+1)4n
4:2o(4+1)5d
5:5d(2+1)6n
6:5o(3+1)7d


<?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>
 <basetype id="2" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </basetype>
 <basetype id="3" 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="4" name="n-acetyl" />
 <basetype id="5" anomer="b" superclass="hex" ringStart="1" ringEnd="5" name="b-dgal-HEX-1:5">
 <stemtype id="1" type="dgal" />
 </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>
 </residues>
 <linkages>
 <connection id="1" parent="1" child="2">
 <linkage id="1" parentType="o" childType="d">
 <parent pos="4" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="2" parent="2" child="3">
 <linkage id="2" parentType="o" childType="d">
 <parent pos="3" />
 <child pos="2" />
 </linkage>
 </connection>
 <connection id="3" parent="3" child="4">
 <linkage id="3" parentType="d" childType="n">
 <parent pos="5" />
 <child pos="1" />
 </linkage>
 </connection>
 <connection id="4" parent="2" child="5">
 <linkage id="4" parentType="o" childType="d">
 <parent pos="4" />
 <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="3" />
 <child pos="1" />
 </linkage>
 </connection>
 </linkages>
 </sugar>

SNFG-style Graphics

3D Structure Model

download coordinates

GM1 oligosaccharide
oligoGM1
GM1 glycan

General Structure Data

Chemical Formula:	C₃₇H₆₂N₂O₂₉		#C	#H	#O	#N
Molec. Weight:	998		37	62	29	2
# Atoms:	130
# Residues:	5
# Heavy Atoms:	68

Superclasses:

Neu		Hex
NeuAc	1	Hex	3
		HexNAc	1

Residues:

Residue	Count
A-D-NEUP5AC	1
B-D-GALP	2
B-D-GALPNAC	1
D-GLC	1

NMR Proton Chemical Shift Info

MHz	500
Temperature	300
Solvent	D2O
Residue	Linkage	Proton	PPM	JFrom	JTo	Hz	Note
D-Glc		H1A	5.218	1a	2a	3.8
D-Glc		H1B	4.664	1b	2b	7.9
D-Glc		H2B	3.275	2b	3b	9.5
b-D-Galp	4	H1(A)	4.532	1	2	7.8
b-D-Galp	4	H1(B)	4.530	1	2	7.9
b-D-Galp	4	H2(A)	3.370	2	3	9.6
b-D-Galp	4	H2(B)	3.361			0
b-D-Galp	4	H3(A)	4.146			0
b-D-Galp	4	H3(B)	4.140			0
b-D-Galp	4	H4	4.129	4	5	1
b-D-GalpNAc	4,4	H1(A)	4.787	1	2	8.5
b-D-GalpNAc	4,4	H1(B)	4.784	1	2	8.6
b-D-GalpNAc	4,4	H2(A)	4.049	2	3	10.7
b-D-GalpNAc	4,4	H2(B)	4.045	2	3	10.3
b-D-GalpNAc	4,4	H4	4.163	3	4	3.5
b-D-GalpNAc	4,4	NAC(A)	2.006			0
b-D-GalpNAc	4,4	NAC(B)	2.004			0
b-D-Galp	3,4,4	H1	4.540	1	2	7.8
b-D-Galp	3,4,4	H2	3.520	2	3	9.9
b-D-Galp	3,4,4	H4	3.920	4	5	0.9
a-D-Neup5Ac	3,4	H3A	1.929	3a	4	11.9
a-D-Neup5Ac	3,4	H3E(A)	0.000			0
a-D-Neup5Ac	3,4		2.664	3e(a)	4	4.8
a-D-Neup5Ac	3,4	H3E(B)	0.000			0
a-D-Neup5Ac	3,4		2.662	3e(b)	4	4.5
a-D-Neup5Ac	3,4	NAC	2.033	3a	3e	-12.8

Literature references: 35

1 - 5 of 35 literature references

Reference #21807

Bojar D; Meche L; Meng G; Eng W; Smith DF; Cummings RD; Mahal LK

A Useful Guide to Lectin Binding: Machine-Learning Directed Annotation of 57 Unique Lectin Specificities.

Published 2022 in ACS Chem Biol, : epub ahead of print

Reference contains 73 structures

Reference #21966

Plasma membrane glycosphingolipid signaling: a turning point.

Published 2022 in Glycoconj J, 39: 99-105

Reference contains 3 structures

Reference #21671

Chiricozzi E; Di Biase E; Lunghi G; Fazzari M; Loberto N; Aureli M; Mauri L; Sonnino S

Turning the spotlight on the oligosaccharide chain of GM1 ganglioside.

Published 2021 in Glycoconj J, 38: 101-117

Reference contains 4 structures

Reference #21320

Di Biase E; Lunghi G; Fazzari M; Maggioni M; Pomè DY; Valsecchi M; Samarani M; Fato P; Ciampa MG; Prioni S; Mauri L; Sonnino S; Chiricozzi E

Gangliosides in the differentiation process of primary neurons: the specific role of GM1-oligosaccharide.

Published 2020 in Glycoconj. J., :

Reference contains 2 structures

Reference #21336

Di Biase E; Lunghi G; Maggioni M; Fazzari M; Pomè DY; Loberto N; Ciampa MG; Fato P; Mauri L; Sevin E; Gosselet F; Sonnino S; Chiricozzi E

GM1 Oligosaccharide Crosses the Human Blood-Brain Barrier In Vitro by a Paracellular Route.

Published 2020 in Int J Mol Sci, 21:

Reference contains 2 structures

NCBI Taxonomy ID	Scientific Name
9913	Bos taurus
9031	Gallus gallus

■ Expand all ■ Collapse all

© 2010-2016,2022 Justus-Liebig University Giessen, Institute of Veterinary Physiology and Biochemistry, Frankfurter Str. 100, 35392 Giessen, Germany
© 2017-2021 The Glycosciences.de crew
© 1997-2009 German Cancer Research Center Heidelberg, Central Spectroscopic Division, Im Neuenheimer Feld 280, 69120 Heidelberg, Germany
All rights reserved.