JCGG-STR022610: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 6 HexNAc 5 Neu5Ac 3
Mass Value Search

Gal 3 GlcNAc 5 Man 3 Neu5Ac 3
Structural Isomer Search

Descriptors Computed from Structure

InChIKey	WFLIUJGBKQEUEZ-LKJSFYLKSA-N
InChI	InChI=1S/C109H178N8O80/c1-26(130)110-51-34(138)9-107(104(165)166,193-85(51)59(144)37(141)12-118)172-25-50-63(148)72(157)74(159)98(183-50)186-80-44(19-125)180-97(58(70(80)155)117-33(8)137)192-92-75(160)84(185-95-56(115-31(6)135)69(154)82(46(21-127)178-95)188-100-77(162)89(64(149)41(16-122)174-100)196-108(105(167)168)10-35(139)52(111-27(2)131)86(194-108)60(145)38(142)13-119)48(23-129)181-103(92)190-88-66(151)49(182-99(76(88)161)187-81-45(20-126)177-94(55(68(81)153)114-30(5)134)184-79-43(18-124)173-93(164)54(67(79)152)113-29(4)133)24-171-102-91(73(158)62(147)40(15-121)176-102)191-96-57(116-32(7)136)71(156)83(47(22-128)179-96)189-101-78(163)90(65(150)42(17-123)175-101)197-109(106(169)170)11-36(140)53(112-28(3)132)87(195-109)61(146)39(143)14-120/h34-103,118-129,138-164H,9-25H2,1-8H3,(H,110,130)(H,111,131)(H,112,132)(H,113,133)(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,165,166)(H,167,168)(H,169,170)/t34-,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+,63-,64-,65-,66+,67+,68+,69+,70+,71+,72-,73-,74+,75-,76-,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,88-,89-,90-,91-,92-,93+,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,107+,108-,109-/m0/s
SMILES	CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@]7(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O7)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@@]6(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O6)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O

Mass

	Monoisotopic Mass	Average Mass
Underivatised Oligosaccharides	2879.0105	2880.6184
Permethylated Oligosaccharides	3579.7932	3581.9619
Peracetylated Oligosaccharides	4517.4224	4520.0718

Glycan Motifs

Motif ID	Structure / SubStructure Name	Note
JCGG-MOTIF1001	N-glycan core structure	Reducing Terminal
JCGG-MOTIF4124	Neu5Ac(a2-3)Gal(b1-4)GlcNAc	NON-Reducing Terminal

ID History Deleted Version

JCGG-STR031867(2)

External Links

MDHPLCDB (HPLCⁿ)

MDHPLCDB 3A3-300.8 3A3-300.8

GlycomeDB (Structure)

GlycomeDB 3167 3167

KEGG (Structure)

KEGG G10727 G10727

CarbBank

CCSD : 2061

Title : Oligosaccharide structures mediating agglutination of sheep erythrocytes by Staphylococcus saprophyticus

Authors : Gunnarsson A; Mardh PA; Lundblad A; Svensson S

Info : Infect Immun (1984) 45: 41-46

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

CCSD : 2062

Title : A two-dimensional 1H-NMR (500-MHz) and 13C-NMR (125 MHz) study of N- linked glycopeptides derived from calf fetuin

Authors : Berman E; Dabrowski U; Dabrowski J

Info : Carbohydr Res (1988) 176: 1-15

TAXID : 9913 Other Data : 2010-12-17

CCSD : 5244

Title : Hydrazinolysis-N-reacetylation of glycopeptides and glycoproteins. II. Purification of oligosaccharides having a free reducing end from glycopeptide sources

Authors : Bendiak B; Cumming DA

Info : Carbohydr Res (1986) 151: 89-103

Other Data : 2010-12-17

CCSD : 8220

Title : The immobilized leukoagglutinin from the seeds of Maackia amurensis binds with high affinity to complex-type Asn-linked oligosaccharides containing terminal sialic acid-linked .alpha.-2,3 to penultimate galactose residues

Authors : Wang WC; Cummings RD

Info : J Biol Chem (1988) 263: 4576-4585

Other Data : 2010-12-17

CCSD : 12805

Title : Affinity of ten insolubilized lectins towards various glycopeptides with the N-glycosylamine linkage and related oligosaccharides

Authors : Debray H; Pierce-Cretel A; Spik G; Montreuil J

Info : Lectins - Biol Biochem Clin Biochem (1983) 3: 335-350

Other Data : 2010-12-17

CCSD : 26842

Title : Purification, characterization, and carbohydrate specificity of the lectin of Ficus cunia

Authors : Ray S; Ahmed H; Basu S; Chatterjee BP

Info : Carbohydr Res (1993) 242: 247-263

Other Data : 2010-12-17

JCGGDB ID JCGG-STR022610

Glycan Information

External Links