JCGG-STR014581:JCGGDB ID

JCGGDB Glycan Structure Research Center for Medical Glycoscience, National Institute of Advanced Industrial Science and Technology (AIST)

Glycan Information

Glyco Tree get Image

Composition

Hex 3 HexNAc 1 Neu5Ac 4
Mass Value Search

Gal 2 GalNAc 1 Glc 1 Neu5Ac 4
Structural Isomer Search

Descriptors Computed from Structure

InChIKey	AGQRAOMLHFGZRX-RBVSPIJTSA-N
InChI	InChI=1S/C70H113N5O53/c1-18(83)71-35-23(88)6-67(63(106)107,123-53(35)40(95)27(92)10-76)114-17-34-45(100)52(121-61-48(103)57(43(98)30(13-79)116-61)127-69(65(110)111)8-25(90)37(73-20(3)85)55(125-69)42(97)29(94)12-78)39(75-22(5)87)60(118-34)120-51-33(16-82)117-62(119-50-32(15-81)115-59(105)47(102)46(50)101)49(104)58(51)128-70(66(112)113)9-26(91)38(74-21(4)86)56(126-70)44(99)31(14-80)122-68(64(108)109)7-24(89)36(72-19(2)84)54(124-68)41(96)28(93)11-77/h23-62,76-82,88-105H,6-17H2,1-5H3,(H,71,83)(H,72,84)(H,73,85)(H,74,86)(H,75,87)(H,106,107)(H,108,109)(H,110,111)(H,112,113)/t23-,24-,25-,26-,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43-,44+,45-,46+,47+,48+,49+,50+,51-,52+,53+,54+,55+,56+,57-,58+,59+,60-,61-,62-,67+,68+,69-,70-/m0/s
SMILES	CC(=O)N[C@@H]1[C@@H](O)C[C@@](OC[C@H]2O[C@@H](O[C@H]3[C@@H](CO)O[C@@H](O[C@@H]4[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@@H](CO)O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)C(O)=O)[C@H](NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@]4(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O4)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]3O)[C@H]2O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

Mass

	Monoisotopic Mass	Average Mass
Underivatised Oligosaccharides	1871.6299	1872.6689
Permethylated Oligosaccharides	2348.1624	2349.5828
Peracetylated Oligosaccharides	2921.894	2923.6011

Glycan Motifs

Motif ID	Structure / SubStructure Name	Note
JCGG-MOTIF3003	ganglio	Reducing Terminal
JCGG-MOTIF4088	GQ1b alpha
JCGG-MOTIF4114	Neu5Ac(a2-3)Gal(b1)	NON-Reducing Terminal

External Links

GlycoEpitope (Antiglycan Antibody)

GlycoEpitope GLPD-000083 GLPD-000083

Name:   GQ1b alpha
Description:   IV³Neu5AcIII⁶Neu5AcII³Neu5Ac₂Gg₄Cer
Reducing terminal:   (b-1)Cer

JCGG	JCGG JGD-000592 JGD-000592 Reducing terminal: (b-1)Cer

LipidBank (Spectral Data)

LipidBank GSG1008 GSG1008

Description: NeuAc2-3Galb1-3(NeuAc2-6)GalNAcb1-4(NeuAc2-8NeuAc2-3)Galb1-4GlcCer
Reducing terminal: (b-)Cer

LipidBank GSG3035 GSG3035

Description: N-acetylneuraminyla2-3galactosylb1-3(N-acetylneuraminyla2-6)N-acetyl- -galactosaminylb1-4(N-acetylneraminyla2-8N-acetylneraminyla2-3)galactosylb1-4glucosylceramide
Reducing terminal: (b-)Cer

GlycomeDB (Structure)

GlycomeDB 2354 2354

KEGG (Structure)

KEGG G00129 G00129

CarbBank

CCSD : 6594

Title : Generation of a monoclonal antibody specific for a new class of minor ganglioside antigens, GQ1b.alpha. and GT1a.alpha.: its binding to dorsal and lateral horn of human thoracic cord

Authors : Kusunoki S; Chiba A; Hirabayashi Y; Irie F; Kotani M; Kawashima I; Tai T; Nagai Y

Info : Brain Res (1993) 623: 83-88

Other Data : 2010-12-17

CCSD : 33112

Title : Structural characterization of a novel cholinergic neuron-specific ganglioside in bovine brain

Authors : Hirabayashi Y; Nakao T; Irie F; Whittaker VP; Kon K; Ando S

Info : J Biol Chem (1992) 267: 12973-12978

TAXID : 9913 Other Data : brain Other Data : 2010-12-17

CCSD : 44844

Title : The chemical constitution of gangliosides of the vertebrate nervous system

Authors : Wiegandt H

Info : Behav Brain Res (1995) 66: 85-97

TAXID : 9913 Other Data : brain Other Data : 2010-12-17

CCSD : 44854

Title : Functional roles of gangliosides in bio-signaling

Authors : Nagai Y

Info : Behav Brain Res (1995) 66: 99-104

Other Data : cholinergic neuron Other Data : 2010-12-17

CCSD : 46832

Title : Biosynthetic pathway for a new series of gangliosides, GT1a.alpha. and GQ1b.alpha.

Authors : Irie F; Hidari KI-PJ; Tai T; Li YT; Seyama Y; Hirabayashi Y

Info : FEBS Lett (1994) 351: 291-294

TAXID : 10116 Other Data : liver Other Data : 2010-12-17

CCSD : 47972

Title : Identification of gangliosides as inhibitors of ADP- ribosyltransferases of pertussis toxin and exoenzyme C3 from Clostridium botulinum

Authors : Hara-Yokoyama M; Hirabayashi Y; Irie F; Syuto B; Moriishi K; Sugiya H; Furuyama S

Info : J Biol Chem (1995) 270: 8115-8121

Other Data : 2010-12-17

CCSD : 48128

Title : Synthetic studies on sialoglycoconjugates 66: First total synthesis of a cholinergic neuron-specific ganglioside GQ1b.alpha.

Authors : Hotta K; Ishida H; Kiso M; Hasegawa A

Info : J Carbohydr Chem (1995) 14: 491-506

Other Data : 2010-12-17

JCGGDB ID JCGG-STR014581

Glycan Information

External Links