JCGG-STR011770:JCGGDB ID

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

Glycan Information

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Composition

Hex 10 HexNAc 5
Mass Value Search

Gal 9 Glc 1 GlcNAc 5
Structural Isomer Search

Descriptors Computed from Structure

InChIKey	IXPPJMKYPJNNAO-VCHSIICJSA-N
InChI	InChI=1S/C100H167N5O76/c1-21(119)101-41-55(133)74(170-95-69(147)81(50(128)30(10-110)159-95)179-92-65(143)60(138)46(124)26(6-106)156-92)34(14-114)163-87(41)153-19-39-53(131)84(177-90-44(104-24(4)122)57(135)76(36(16-116)166-90)172-97-71(149)83(52(130)32(12-112)161-97)181-94-67(145)62(140)48(126)28(8-108)158-94)72(150)100(169-39)174-78-38(18-118)167-91(45(59(78)137)105-25(5)123)178-85-54(132)40(20-154-88-42(102-22(2)120)56(134)75(35(15-115)164-88)171-96-70(148)82(51(129)31(11-111)160-96)180-93-66(144)61(139)47(125)27(7-107)157-93)168-99(73(85)151)173-77-37(17-117)165-89(43(58(77)136)103-23(3)121)176-80-49(127)29(9-109)162-98(68(80)146)175-79-33(13-113)155-86(152)64(142)63(79)141/h26-100,106-118,124-152H,6-20H2,1-5H3,(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)/t26-,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+,83+,84+,85+,86-,87-,88-,89+,90+,91+,92-,93-,94-,95+,96+,97+,98+,99+,100+/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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[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)O[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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	2653.9355 (A_n=2 ) = 869.3011+ A[892.3172]_n=2	2655.4142 (A_n=2 ) = 869.7798+ A[892.8172]_n=2
Permethylated Oligosaccharides	3312.6714 (A_n=2 ) = 1107.5674+ A[1102.552]_n=2	3314.677 (A_n=2 ) = 1108.2366+ A[1103.2202]_n=2
Peracetylated Oligosaccharides	4418.3792 (A_n=2 ) = 1541.4702+ A[1438.4545]_n=2	4420.9794 (A_n=2 ) = 1542.3761+ A[1439.3016]_n=2

Glycan Motifs

Motif ID	Structure / SubStructure Name	Note
JCGG-MOTIF3009	neolacto	Reducing Terminal
JCGG-MOTIF4062	Paragloboside	Reducing Terminal
JCGG-MOTIF4099	Alpha-Galactosyl Epitope	NON-Reducing Terminal

External Links

GlycomeDB (Structure)

GlycomeDB 2092 2092

KEGG (Structure)

KEGG G00895 G00895

CarbBank

CCSD : 2094

Title : Immunochemistry of I/i-active oligo- and polyglycosylceramides from rabbit erythrocyte membranes

Authors : Egge H; Kordowicz M; Peter-Katalinic J; Hanfland P

Info : J Biol Chem (1985) 260: 4927-4935

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

CCSD : 2137

Title : Structure determination of a ceramide pentadecasaccharide by two dimensional J-resolved and J-correlated NMR spectroscopy

Authors : Dabrowski J; Hanfland P

Info : FEBS Lett (1982) 142: 138-142

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

CCSD : 11958

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 : 23855

Title : Toxin A from Clostridium difficile binds to rabbit erythrocyte glycolipids with terminal Gal.alpha.1-3Gal.beta.1-4GlcNAc sequences

Authors : Clark GF; Krivan HC; Wilkins TD; Smith DF

Info : Arch Biochem Biophys (1987) 257: 217-229

Other Data : 2010-12-17

CCSD : 28246

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

CCSD : 28265

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 : 43536

Title : Synthesis of neoglycoconjugates

Authors : Magnusson G; Chernyak AY; Kihlberg J; Kononov LO

Info : Neoglycoconjugates: Preparation and Applications (1994) : 53-143

Other Data : 2010-12-17

JCGGDB ID JCGG-STR011770

Glycan Information

External Links