JCGG-STR019616: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 5 HexNAc 3 Neu5Ac 1 dHex 1
Mass Value Search

Fuc 1 Gal 4 Glc 1 GlcNAc 3 Neu5Ac 1
Structural Isomer Search

Descriptors Computed from Structure

InChIKey	RZSGHUFWKFNYPE-QHXCYWITSA-N
InChI	InChI=1S/C71H118N4O53/c1-16-35(91)43(99)46(102)65(110-16)123-56-34(75-20(5)88)64(126-59-39(95)24(9-78)113-67(48(59)104)121-53-27(12-81)111-61(107)45(101)44(53)100)118-30(15-84)54(56)122-68-49(105)58(38(94)25(10-79)114-68)125-63-32(73-18(3)86)41(97)51(28(13-82)116-63)119-66-47(103)57(37(93)23(8-77)112-66)124-62-33(74-19(4)87)42(98)52(29(14-83)117-62)120-69-50(106)60(40(96)26(11-80)115-69)128-71(70(108)109)6-21(89)31(72-17(2)85)55(127-71)36(92)22(90)7-76/h16,21-69,76-84,89-107H,6-15H2,1-5H3,(H,72,85)(H,73,86)(H,74,87)(H,75,88)(H,108,109)/t16-,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+,56+,57-,58-,59-,60-,61+,62-,63-,64-,65-,66-,67-,68-,69-,71-/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@@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]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	1874.666 (A_n=2 ) = 1144.4016+ A[365.1322]_n=2	1875.7131 (A_n=2 ) = 1145.0383+ A[365.3374]_n=2
Permethylated Oligosaccharides	2337.1827 (A_n=2 ) = 1438.7305+ A[449.2261]_n=2	2338.5999 (A_n=2 ) = 1439.6027+ A[449.4986]_n=2
Peracetylated Oligosaccharides	3050.9615 (A_n=2 ) = 1900.5918+ A[575.1849]_n=2	3052.7566 (A_n=2 ) = 1901.7092+ A[575.5237]_n=2

Glycan Motifs

Motif ID	Structure / SubStructure Name	Note
JCGG-MOTIF3009	neolacto	Reducing Terminal
JCGG-MOTIF4062	Paragloboside	Reducing Terminal
JCGG-MOTIF4124	Neu5Ac(a2-3)Gal(b1-4)GlcNAc	NON-Reducing Terminal

External Links

GlycomeDB (Structure)

GlycomeDB 2824 2824

KEGG (Structure)

KEGG G10268 G10268

CarbBank

CCSD : 7855

Title : Monosialogangliosides of human myelogenous leukemia HL60 cells and normal human leukocytes. 1. Separation of E-selectin binding from nonbinding gangliosides, and absence of sialosyl-Lex having tetraosyl to octaosyl core

Authors : Stroud MR; Handa K; Ito K; Salyan MEK; Fang H; Levery SB; Hakomori S- I; Reinhold BB; Reinhold VN

Info : Biochemistry (1996) 35: 758-769

TAXID : 9606 Genus Species : man Scientific Name : Homo sapiens Other Data : cell line:HL60 cell Other Data : 2010-12-17

CCSD : 33728

Title : Structure and function of sphingoglycolipids in transmembrane signalling and cell-cell interactions

Authors : Hakomori SI

Info : Biochem Soc Trans (1993) 21: 583-595

Other Data : 2010-12-17

JCGGDB ID JCGG-STR019616

Glycan Information

External Links