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CHEBI:154248 - CID 91856814

Default Structure
ChEBI IDCHEBI:154248
ChEBI NameCID 91856814
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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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]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]/1-2-3-4-2-5-6-2-6-2-4-2-6-2-6-5/a4-b1_a6-p1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_k2-l1_k6-n1_l4-m1_n4-o1
InChIInChI=1S/C110H183N7O79/c1-24-54(136)68(150)75(157)102(169-24)167-22-45-88(63(145)47(95(165)171-45)111-26(3)129)186-99-51(115-30(7)133)66(148)86(41(18-126)179-99)190-108-82(164)92(194-110-94(81(163)87(42(19-127)182-110)185-98-50(114-29(6)132)65(147)84(39(16-124)178-98)188-105-78(160)71(153)58(140)35(12-120)174-105)196-101-53(117-32(9)135)91(193-103-76(158)69(151)55(137)25(2)170-103)89(43(20-128)181-101)192-107-80(162)73(155)60(142)37(14-122)176-107)90(191-97-48(112-27(4)130)62(144)56(138)33(10-118)172-97)46(184-108)23-168-109-93(195-100-52(116-31(8)134)67(149)85(40(17-125)180-100)189-106-79(161)72(154)59(141)36(13-121)175-106)74(156)61(143)44(183-109)21-166-96-49(113-28(5)131)64(146)83(38(15-123)177-96)187-104-77(159)70(152)57(139)34(11-119)173-104/h24-25,33-110,118-128,136-165H,10-23H2,1-9H3,(H,111,129)(H,112,130)(H,113,131)(H,114,132)(H,115,133)(H,116,134)(H,117,135)/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
InChIKeyBCVJGNYEHNZQQA-RVOBUGHCSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91856814 (CHEBI:154248) 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)-[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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-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)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G79345TWGlyGen
G79345TWGlyTouCan