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CHEBI:152917 - CID 91847722

ChEBI IDCHEBI:152917
ChEBI NameCID 91847722
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H195N9O88
Net Charge0
Average Mass3171.855
Monoisotopic Mass3170.10603
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](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O)[C@H](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,15,14/[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]/1-2-3-4-2-5-6-2-5-6-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_h6-k2_i3-j2_l2-m1_m4-n1_n6-o2
InChIInChI=1S/C120H195N9O88/c1-29(141)121-57-38(150)10-117(113(181)182,213-94(57)66(158)42(154)14-130)190-26-54-71(163)80(172)83(175)107(201-54)206-89-49(21-137)197-104(63(77(89)169)127-35(7)147)211-100-82(174)70(162)46(18-134)195-111(100)189-25-53-74(166)98(86(178)109(200-53)208-91-51(23-139)196-103(62(76(91)168)126-34(6)146)204-88-48(20-136)193-102(180)61(75(88)167)125-33(5)145)210-112-101(212-105-64(128-36(8)148)78(170)90(50(22-138)198-105)207-108-84(176)81(173)72(164)55(202-108)27-191-118(114(183)184)11-39(151)58(122-30(2)142)95(214-118)67(159)43(155)15-131)85(177)92(52(24-140)199-112)205-106-65(129-37(9)149)79(171)93(56(203-106)28-192-119(115(185)186)12-40(152)59(123-31(3)143)96(215-119)68(160)44(156)16-132)209-110-87(179)99(73(165)47(19-135)194-110)217-120(116(187)188)13-41(153)60(124-32(4)144)97(216-120)69(161)45(157)17-133/h38-112,130-140,150-180H,10-28H2,1-9H3,(H,121,141)(H,122,142)(H,123,143)(H,124,144)(H,125,145)(H,126,146)(H,127,147)(H,128,148)(H,129,149)(H,181,182)(H,183,184)(H,185,186)(H,187,188)/t38-,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+,117+,118+,119+,120-/m0/s1
InChIKeyQDOWPPNFEYSPBV-PQHUIXSKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847722 (CHEBI:152917) is a polysaccharide (CHEBI:18154)
Synonyms  Source
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-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)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)[NeuAc(a2-6)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
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