JCGG-STR000360: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 7 HexNAc 5
Mass Value Search

Gal 6 Glc 1 GlcNAc 5
Structural Isomer Search

Descriptors Computed from Structure

InChIKey	TZJSNMIKECJEMR-MTTIPMHSSA-N
InChI	InChI=1S/C82H137N5O61/c1-18(98)83-35-46(109)62(140-77-56(119)51(114)40(103)23(6-88)129-77)28(11-93)133-72(35)126-16-33-44(107)69(147-75-37(85-20(3)100)48(111)64(30(13-95)135-75)142-79-58(121)53(116)42(105)25(8-90)131-79)60(123)82(139-33)144-66-32(15-97)137-76(39(50(66)113)87-22(5)102)148-70-45(108)34(17-127-73-36(84-19(2)99)47(110)63(29(12-94)134-73)141-78-57(120)52(115)41(104)24(7-89)130-78)138-81(61(70)124)143-65-31(14-96)136-74(38(49(65)112)86-21(4)101)146-68-43(106)26(9-91)132-80(59(68)122)145-67-27(10-92)128-71(125)55(118)54(67)117/h23-82,88-97,103-125H,6-17H2,1-5H3,(H,83,98)(H,84,99)(H,85,100)(H,86,101)(H,87,102)/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-,63-,64-,65-,66-,67-,68+,69+,70+,71-,72-,73-,74+,75+,76+,77+,78+,79+,80+,81+,82+/m1/s
SMILES	CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@H]1OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]3[C@@H](O)[C@@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O)O[C@@H]6CO)[C@@H]5O)O[C@@H]4CO)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H]1O

Mass

	Monoisotopic Mass	Average Mass
Underivatised Oligosaccharides	2167.7771 (A_n=2 ) = 707.2483+ A[730.2644]_n=2	2168.987 (A_n=2 ) = 707.6374+ A[730.6748]_n=2
Permethylated Oligosaccharides	2700.372 (A_n=2 ) = 903.4676+ A[898.4522]_n=2	2702.008 (A_n=2 ) = 904.0136+ A[898.9972]_n=2
Peracetylated Oligosaccharides	3554.1255 (A_n=2 ) = 1253.3857+ A[1150.3699]_n=2	3556.2166 (A_n=2 ) = 1254.1218+ A[1151.0474]_n=2

Glycan Motifs

Motif ID	Structure / SubStructure Name	Note
JCGG-MOTIF3009	neolacto	Reducing Terminal
JCGG-MOTIF4062	Paragloboside	Reducing Terminal
JCGG-MOTIF4089	I Antigen	NON-Reducing Terminal

External Links

GlycomeDB (Structure)

GlycomeDB 10322 10322

KEGG (Structure)

KEGG G01799 G01799

CarbBank

CCSD : 2346

Title : Synthetic studies on cell-surface glycans. 87. Synthesis of triantennary blood-group I antigens: neolacto-glycopentadecaosyl ceramide

Authors : Matsuzaki Y; Ito Y; Ogawa T

Info : Tetrahedron Lett (1992) 33: 6343-6346

Other Data : 2010-12-17

CCSD : 11962

Title : Immunochemistry of I/i-active oligo- and polyglycosylceramides from rabbit erythrocyte membranes. II. Determination of branching patterns of a ceramide pentadecasaccharide by proton nuclear magnetic resonance

Authors : Dabrowski U; Hanfland P; Egge H; Kuhn S; Dabrowski J

Info : J Biol Chem (1984) 259: 7648-7651

TAXID : 9986 Other Data : erythrocyte Other Data : 2010-12-17

CCSD : 26083

Title : Oligosaccharide production by dextransucrase of Streptococcus bovis. II

Authors : Hayashi T; Ioroi R; Ohara N; Kozaki M

Info : Nippon Shokuhin Kogyo Gakkaishi (1992) 39: 391-396

Other Data : 2010-12-17

JCGGDB ID JCGG-STR000360

Glycan Information

External Links