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CHEBI:154116 - CID 91854160

ChEBI IDCHEBI:154116
ChEBI NameCID 91854160
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC122H203N7O87
Net Charge0
Average Mass3159.928
Monoisotopic Mass3158.16757
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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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@H]5O)[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=2.0/6,18,17/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5][a2112h-1b_1-5_2*NCC/3=O]/1-1-2-3-1-4-5-1-4-3-1-6-4-5-5-1-4-5/a4-b1_a6-r1_b4-c1_c3-d1_c6-j1_d2-e1_d3-g1_d4-h1_e4-f1_h4-i1_j2-k1_j3-o1_j6-p1_k4-l1_l3-m1_m2-n1_p4-q1
InChIInChI=1S/C122H203N7O87/c1-26-58(148)75(165)83(173)112(185-26)183-25-50-96(69(159)51(105(181)189-50)123-30(5)141)204-107-53(125-32(7)143)72(162)95(46(21-139)196-107)208-119-90(180)99(211-122-104(216-110-56(128-35(10)146)74(164)94(45(20-138)199-110)207-118-89(179)81(171)64(154)39(14-132)193-118)102(214-115-86(176)78(168)61(151)29(4)188-115)97(47(22-140)200-122)209-108-54(126-33(8)144)73(163)93(44(19-137)197-108)206-117-88(178)80(170)63(153)38(13-131)192-117)67(157)48(201-119)24-184-120-103(100(212-113-84(174)76(166)59(149)27(2)186-113)68(158)49(202-120)23-182-106-52(124-31(6)142)70(160)92(42(17-135)195-106)205-116-87(177)79(169)62(152)37(12-130)191-116)215-109-55(127-34(9)145)71(161)91(43(18-136)198-109)203-111-57(129-36(11)147)98(66(156)41(16-134)190-111)210-121-101(82(172)65(155)40(15-133)194-121)213-114-85(175)77(167)60(150)28(3)187-114/h26-29,37-122,130-140,148-181H,12-25H2,1-11H3,(H,123,141)(H,124,142)(H,125,143)(H,126,144)(H,127,145)(H,128,146)(H,129,147)/t26-,27-,28-,29-,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-,111-,112+,113-,114-,115-,116-,117-,118-,119-,120-,121-,122+/m0/s1
InChIKeyPTDRLZDJFLDGAX-ZPFFQEIESA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91854160 (CHEBI:154116) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-hexopyranosyl-(1->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-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)][6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-alpha-D-manno-hexopyranosyl-(1->6)-[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)][6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)]-alpha-D-manno-hexopyranosyl-(1->3)]-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
Fuc(a1-2)Gal(b1-3)GalNAc(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)][Fuc(a1-3)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)][Fuc(a1-3)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G75671DOGlyGen
G75671DOGlyTouCan