JCGG-STR024257:JCGGDB ID

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

JCGGDB ID JCGG-STR024257

GlyTouCan G73381RY

version 2

Glycan Information

Glyco Tree get Image

Composition

Hex 3 HexNAc 1 Neu5Gc 2
Mass Value Search

Gal 2 GalNAc 1 Glc 1 Neu5Gc 2
Structural Isomer Search

Descriptors Computed from Structure

InChIKey	QCIMCXXAYQTQRU-YLJKFFPQSA-N
InChI	InChI=1S/C48H79N3O39/c1-12(60)49-25-36(86-43-32(73)39(29(70)18(7-55)82-43)89-47(45(76)77)2-13(61)23(50-21(65)10-58)37(87-47)26(67)15(63)4-52)28(69)17(6-54)81-42(25)85-35-20(9-57)83-44(84-34-19(8-56)80-41(75)31(72)30(34)71)33(74)40(35)90-48(46(78)79)3-14(62)24(51-22(66)11-59)38(88-48)27(68)16(64)5-53/h13-20,23-44,52-59,61-64,67-75H,2-11H2,1H3,(H,49,60)(H,50,65)(H,51,66)(H,76,77)(H,78,79)/t13-,14-,15+,16+,17+,18+,19+,20+,23+,24+,25+,26+,27+,28-,29-,30+,31+,32+,33+,34+,35-,36+,37+,38+,39-,40+,41+,42-,43-,44-,47-,48-/m0/s
SMILES	CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O[C@@]2(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O2)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]1O

Mass

	Monoisotopic Mass	Average Mass
Underivatised Oligosaccharides	1321.429	1322.152
Permethylated Oligosaccharides	1685.8361	1686.8508
Peracetylated Oligosaccharides	2203.6509	2204.9348

Glycan Motifs

Motif ID	Structure / SubStructure Name	Note
JCGG-MOTIF3003	ganglio	Reducing Terminal
JCGG-MOTIF4042	N-Glycolyl GM2	Reducing Terminal
JCGG-MOTIF4113	Neu5Gc(a2-3)Gal	NON-Reducing Terminal

External Links

GlycoEpitope (Antiglycan Antibody)

GlycoEpitope GLPD-000115 GLPD-000115

Name:   (Neu5GC,Neu5Gc)GD1a
Description:   IV³Neu5GcII³Neu5GcGg₄Cer
Reducing terminal:   (b-1)Cer

JCGG	JCGG JGD-000628 JGD-000628 Reducing terminal: (b-1)Cer

LipidBank (Spectral Data)

LipidBank GSG1229 GSG1229

Description: NeuGc2-3Galb1-3GalNAcb1-4(NeuGc2-3)Galb1-4GlcCer
Reducing terminal: (b-)Cer

GlycomeDB (Structure)

GlycomeDB 3378 3378

KEGG (Structure)

KEGG G00540 G00540

PACDB(Pathogen adhesion)

Pathogen:	Rotavirus (Neuraminidase-sensitive; simian:SA11(P2/G3) / bovine:NCDV(P1/G6))
Glycan Name:	GD1a (NeuGc) [ Binding]

Pathogen:	Escherichia coli (Enterotoxigenic(ETEC); K99)
Glycan Name:	GD1a (NeuGc) [ Binding]

CarbBank

CCSD : 1124

Title : Disialogangliosides in bovine adrenal medulla

Authors : Ariga T; Sekine M; Yu RK; Miyatake T

Info : J Biol Chem (1982) 257: 2230-2235

TAXID : 9913 Other Data : adrenal medulla Other Data : 2010-12-17

CCSD : 7575

Title : Calf small intestine receptors for K99 fimbriated enterotoxigenic Escherichia coli

Authors : Teneberg S; Willemsen PTJ; De Graaf FK; Karlsson KA

Info : FEMS Microbiol Lett (1993) 109: 107-112

TAXID : 9913 Other Data : small intestine Other Data : 2010-12-17

CCSD : 9153

Title : Gangliosides of hog skeletal muscle

Authors : Nakamura K; Nagashima M; Sekine M; Igarashi M; Ariga T; Atsumi T; Miyatake T; Suzuki A; Yamakawa T

Info : Biochim Biophys Acta (1983) 752: 291-300

TAXID : 9823 Other Data : muscle Other Data : 2010-12-17

CCSD : 11338

Title : Neutral glycosphingolipids and gangliosides of bovine thyroid

Authors : Iwamori M; Sawada K; Hara Y; Nishio M; Fujisawa T; Imura H; Nagai Y

Info : J Biochem (1982) 91: 1875-1887

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

CCSD : 11347

Title : Interspecies comparison of muscle gangliosides by two-dimensional thin-layer chromatography

Authors : Nakamura K; Ariga T; Yahagi T; Miyatake T; Suzuki A; Yamakawa T

Info : J Biochem (1983) 94: 1359-1365

Other Data : muscle Other Data : 2010-12-17

CCSD : 11349

Title : Expression of GM1 and GD1a in mouse liver is linked to the H-2 complex on chromosome 17

Authors : Hashimoto Y; Suzuki A; Yamakawa T; Miyashita N; Moriwaki K

Info : J Biochem (1983) 94: 2043-2048

TAXID : 10090 Other Data : liver Other Data : 2010-12-17

CCSD : 13661

Title : Gangliosides of Extraneural Organs

Authors : Wiegandt H

Info : Z Physiol Chem (1973) 354: 1049-1056

TAXID : 9606 Genus Species : man Scientific Name : Homo sapiens Other Data : 2010-12-17

CCSD : 14548

Title : Gangliosides of murine B-lymphoma MOPC-406

Authors : Dyatlovitskaya EV; Somova OG; Kogtev LS; Bergelson LD

Info : Biochemistry (Mosc) (1986) 51: 1308-1314

TAXID : 10090 Other Data : B-lymphoma Other Data : 2010-12-17

CCSD : 15046

Title : Mouse liver gangliosides

Authors : Suzuki M; Nakamura K; Hashimoto Y; Suzuki A; Yamakawa T

Info : Carbohydr Res (1986) 151: 213-223

TAXID : 10090 Other Data : liver Other Data : 2010-12-17

CCSD : 16071

Title : Genetic polymorphism of ganglioside expression in mouse organs

Authors : Nakamura K; Hashimoto Y; Yamakawa T; Suzuki A

Info : J Biochem (1988) 103: 201-208

TAXID : 10090 Other Data : 2010-12-17

CCSD : 17770

Title : In vivo metabolism of gangliosides

Authors : Ogura K; Handa S

Info : Sialic Acids 1988 Proc Jpn-Ger Symp (1988) : 160-161

Other Data : 2010-12-17

CCSD : 21074

Title : Glycosphingolipids of porcine blood: human blood-group A and H antigens with type 1 chain in erythrocytes and plasma

Authors : Makita A; Gasa S; Sako F; Hanagata G

Info : Indian J Biochem Biophys (1990) 27: 402-410

TAXID : 9823 Other Data : blood Other Data : 2010-12-17

CCSD : 40441

Title : In situ accessibility of murine macrophage gangliosides

Authors : Macala LJ; Yohe HC

Info : Glycobiology (1995) 5: 67-75

TAXID : 10090 Other Data : macrophage Other Data : 2010-12-17

CCSD : 47714

Title : Characterization of gangliosides of epithelial cells of calf small intestine, with special reference to receptor-active sequences for enteropathogenic Escherichia coli K99

Authors : Teneberg S; Willemsen PTJ; De Graaf FK; Stenhagen G; Pimlott W; Jovall PA; Angstrom J; Karlsson KA

Info : J Biochem (1994) 116: 560-574

TAXID : 9913 Other Data : small intestine Other Data : 2010-12-17