JCGG-STR013221: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 4 HexNAc 2 Neu5Ac 1 dHex 1
Mass Value Search

Fuc 1 Gal 3 Glc 1 GlcNAc 2 Neu5Ac 1
Structural Isomer Search

Descriptors Computed from Structure

InChIKey	SWEUBRTUJAJHAC-ZARNMGRSSA-N
InChI	InChI=1S/C57H95N3O43/c1-13-28(73)34(79)37(82)52(89-13)99-45-27(60-16(4)70)51(101-47-31(76)19(7-62)91-53(38(47)83)97-42-22(10-65)90-49(86)36(81)35(42)80)95-24(12-67)43(45)98-54-39(84)46(30(75)20(8-63)92-54)100-50-26(59-15(3)69)33(78)41(23(11-66)94-50)96-55-40(85)48(32(77)21(9-64)93-55)103-57(56(87)88)5-17(71)25(58-14(2)68)44(102-57)29(74)18(72)6-61/h13,17-55,61-67,71-86H,5-12H2,1-4H3,(H,58,68)(H,59,69)(H,60,70)(H,87,88)/t13-,17-,18+,19+,20+,21+,22+,23+,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-,57-/m0/s
SMILES	C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[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]3O)O[C@H](CO)[C@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O

Mass

	Monoisotopic Mass	Average Mass
Underivatised Oligosaccharides	1509.5338	1510.3757
Permethylated Oligosaccharides	1887.9565	1889.1013
Peracetylated Oligosaccharides	2475.7769	2477.2329

Glycan Motifs

Motif ID	Structure / SubStructure Name	Note
JCGG-MOTIF3009	neolacto	Reducing Terminal
JCGG-MOTIF4062	Paragloboside	Reducing Terminal
JCGG-MOTIF4018	VIM-2	NON-Reducing Terminal

Chemical Synthesis

External Links

JCGG	JCGG JGD-000529 JGD-000529 Reducing terminal: (b-1)Cer

LipidBank (Spectral Data)

LipidBank GSG3033 GSG3033

Name:   VIM-II
Description:   N-acetylneuraminyla2-3galactosylb1-4N-acetyl-glucosaminylb1-3galactosylb1-4(fucosyla1-3)N-acetyl-glucosaminylb1-3galactosylb1-4glucosylceramide
Reducing terminal:   (b-)Cer

LipidBank GSG1251 GSG1251

Description: NeuAc2-3Galb1-4GlcNAcb1-3Galb1-4(Fuca1-3)GlcNAcb1-3Galb1-4GlcCer
Reducing terminal: (b-)Cer

GlycomeDB (Structure)

GlycomeDB 2228 2228

KEGG (Structure)

KEGG G01147 G01147

CarbBank

CCSD : 1507

Title : Structure of a novel sialylated fucosyl lacto-N-nor-hexaosylceramide isolated from chronic myelogenous leukemia cells

Authors : Fukuda MN; Dell A; Tiller PR; Varki A; Klock JC; Fukuda M

Info : J Biol Chem (1986) 261: 2376-2383

Other Data : chronic myelogenous leukemia Other Data : 2010-12-17

CCSD : 1658

Title : Human cancer-associated gangliosides defined by a monoclonal antibody

Authors : Hakomori S; Nudelman E; Levery SB; Patterson CM

Info : Biochem Biophys Res Commun (1983) 113: 791-798

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

CCSD : 5411

Title : Specificity of fucose transfer to GlcNAc residues of extended chain neolacto-series glycolipids catalyzed by human .alpha.1-3fucosyltransferases: effect on the lipidic environment on the myeloid enzyme form

Authors : Holmes EH; Macher BA

Info : Arch Biochem Biophys (1993) 301: 190-199

Other Data : 2010-12-17

CCSD : 15274

Title : Proton NMR analysis of type-2 chain lactogangliosides. Confirmation of structure of a novel cancer-associated fucoganglioside, .alpha.-NeuAc-(2-6)- GlcpNAc-(1-3)-.beta.-D-Galp-(1-4)-.beta.-D-Glcp-(1-1)-Cer (VI6NeuAcIII3FucnLc6Cer)

Authors : Levery SB; Nudelman E; Kannagi R; Symington FW; Andersen NH; Clausen H; Baldwin M; Hakomori SI

Info : Carbohydr Res (1988) 178: 121-144

Other Data : 2010-12-17

CCSD : 22621

Title : Distribution of VIM-2 and SSEA-1 glycoconjugate epitopes among human leukocytes and leukemia cells

Authors : Macher BA; Beckstead JH

Info : Leuk Res (1990) 14: 119-130

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

JCGGDB ID JCGG-STR013221

Glycan Information

External Links