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CHEBI:148028 - CID 91852033

ChEBI IDCHEBI:148028
ChEBI NameCID 91852033
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC117H191N9O84
Net Charge0
Average Mass3067.794
Monoisotopic Mass3066.09508
SMILESCC(=O)N[C@@H]1[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]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H]5NC(C)=O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/7,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O][a2112h-1b_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-3-1-6-5-1-6-5-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h6-l1_i3-j1_j3-k2_l3-m1_m3-n2
InChIInChI=1S/C117H191N9O84/c1-28-64(153)79(168)82(171)106(185-28)183-27-54-88(76(165)58(100(175)186-54)121-32(5)141)198-102-59(122-33(6)142)78(167)87(51(24-137)193-102)199-107-83(172)95(202-111-99(80(169)68(157)44(17-130)192-111)204-103-60(123-34(7)143)77(166)86(50(23-136)194-103)197-105-63(126-37(10)146)94(72(161)47(20-133)189-105)208-115(112(176)177)11-38(147)55(118-29(2)138)91(205-115)65(154)41(150)14-127)75(164)53(195-107)26-184-110-98(203-104-62(125-36(9)145)90(71(160)46(19-132)188-104)201-109-85(174)97(74(163)49(22-135)191-109)210-117(114(180)181)13-40(149)57(120-31(4)140)93(207-117)67(156)43(152)16-129)81(170)69(158)52(196-110)25-182-101-61(124-35(8)144)89(70(159)45(18-131)187-101)200-108-84(173)96(73(162)48(21-134)190-108)209-116(113(178)179)12-39(148)56(119-30(3)139)92(206-116)66(155)42(151)15-128/h28,38-111,127-137,147-175H,11-27H2,1-10H3,(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,176,177)(H,178,179)(H,180,181)/t28-,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-,111+,115-,116-,117-/m0/s1
InChIKeyXEGZBTHKSMHIQL-SFERNWRFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852033 (CHEBI:148028) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)GalNAc(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G15859AUGlyGen
G15859AUGlyTouCan