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CHEBI:155594 - CID 91845008

Default Structure
ChEBI IDCHEBI:155594
ChEBI NameCID 91845008
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC110H183N7O79
Net Charge0
Average Mass2867.644
Monoisotopic Mass2866.05175
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@H]3O[C@H](CO)[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]5O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,16,15/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-6-2-4-2-6-2-5-6/a4-b1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_k2-l1_k6-n1_l4-m1_n3-o1_n4-p1
InChIInChI=1S/C110H183N7O79/c1-24-54(137)67(150)74(157)102(168-24)192-90-52(116-31(8)135)96(176-43(20-128)87(90)190-106-78(161)71(154)59(142)36(13-121)174-106)166-22-45-61(144)73(156)93(195-100-51(115-30(7)134)66(149)84(40(17-125)179-100)187-105-77(160)70(153)58(141)35(12-120)173-105)109(182-45)167-23-46-89(189-97-48(112-27(4)131)62(145)56(139)33(10-118)171-97)92(81(164)108(183-46)188-85-41(18-126)177-98(49(65(85)148)113-28(5)132)184-82-38(15-123)170-95(165)47(63(82)146)111-26(3)130)194-110-94(80(163)86(42(19-127)181-110)185-99-50(114-29(6)133)64(147)83(39(16-124)178-99)186-104-76(159)69(152)57(140)34(11-119)172-104)196-101-53(117-32(9)136)91(193-103-75(158)68(151)55(138)25(2)169-103)88(44(21-129)180-101)191-107-79(162)72(155)60(143)37(14-122)175-107/h24-25,33-110,118-129,137-165H,10-23H2,1-9H3,(H,111,130)(H,112,131)(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)/t24-,25-,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-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110+/m0/s1
InChIKeyGQFIAMXQGSRCGF-WGEPDHKYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845008 (CHEBI:155594) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
G99067GTGlyGen
G99067GTGlyTouCan