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CHEBI:147968 - CID 91854210

ChEBI IDCHEBI:147968
ChEBI NameCID 91854210
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O81
Net Charge0
Average Mass2938.679
Monoisotopic Mass2937.05248
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@]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](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@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[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](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]2O)[C@@H]1O
WURCSWURCS=2.0/7,15,14/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-2-4-2-5-6-2-5-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_e4-f1_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m3-n2
InChIInChI=1S/C112H184N8O81/c1-26-59(144)74(159)78(163)102(176-26)174-24-49-87(69(154)53(96(168)177-49)115-29(4)134)189-99-56(118-32(7)137)71(156)86(46(21-130)184-99)193-106-82(167)93(195-108-95(76(161)64(149)41(16-125)182-108)197-101-58(120-34(9)139)72(157)84(45(20-129)186-101)190-103-79(164)75(160)63(148)40(15-124)179-103)88(194-98-54(116-30(5)135)68(153)62(147)39(14-123)178-98)50(188-106)25-175-107-94(196-100-57(119-33(8)138)73(158)85(47(22-131)185-100)192-105-81(166)92(67(152)43(18-127)181-105)201-112(110(171)172)11-36(141)52(114-28(3)133)90(199-112)61(146)38(143)13-122)77(162)65(150)48(187-107)23-173-97-55(117-31(6)136)70(155)83(44(19-128)183-97)191-104-80(165)91(66(151)42(17-126)180-104)200-111(109(169)170)10-35(140)51(113-27(2)132)89(198-111)60(145)37(142)12-121/h26,35-108,121-131,140-168H,10-25H2,1-9H3,(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,169,170)(H,171,172)/t26-,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+,111-,112-/m0/s1
InChIKeyGXQYEPORPCOMQC-VYUUZVGMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91854210 (CHEBI:147968) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-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->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)][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
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[Gal(b1-4)GlcNAc(b1-2)Man(a1-3)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G15571KXGlyGen
G15571KXGlyTouCan