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CHEBI:148487 - CID 91856002

ChEBI IDCHEBI:148487
ChEBI NameCID 91856002
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@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](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](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]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]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_f3-g2_h3-i1_h6-k2_i3-j2_l2-m1_m4-n1_n3-o2
InChIInChI=1S/C120H195N9O88/c1-29(143)121-57-38(152)10-117(113(181)182,211-92(57)66(160)42(156)14-130)190-28-56-74(168)91(207-110-85(179)99(73(167)49(21-137)194-110)217-120(116(187)188)13-41(155)60(124-32(4)146)95(214-120)69(163)45(159)17-133)65(129-37(9)151)106(200-56)203-90-54(26-142)199-112(101(81(90)175)210-105-64(128-36(8)150)79(173)89(53(25-141)198-105)206-109-84(178)98(72(166)48(20-136)193-109)216-119(115(185)186)12-40(154)59(123-31(3)145)94(213-119)68(162)44(158)16-132)208-96-75(169)55(201-107(82(96)176)204-87-51(23-139)196-103(62(77(87)171)126-34(6)148)202-86-50(22-138)191-102(180)61(76(86)170)125-33(5)147)27-189-111-100(80(174)70(164)46(18-134)195-111)209-104-63(127-35(7)149)78(172)88(52(24-140)197-104)205-108-83(177)97(71(165)47(19-135)192-108)215-118(114(183)184)11-39(153)58(122-30(2)144)93(212-118)67(161)43(157)15-131/h38-112,130-142,152-180H,10-28H2,1-9H3,(H,121,143)(H,122,144)(H,123,145)(H,124,146)(H,125,147)(H,126,148)(H,127,149)(H,128,150)(H,129,151)(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
InChIKeyITXFQIVQMHUXAL-AWMGFBFSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91856002 (CHEBI:148487) 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->3)-[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->3)-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(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-3)[NeuAc(a2-6)]GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
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