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CHEBI:149301 - CID 91850116

ChEBI IDCHEBI:149301
ChEBI NameCID 91850116
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC123H201N9O93S
Net Charge0
Average Mass3325.998
Monoisotopic Mass3324.09963
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]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](O[C@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[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@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=2.0/7,16,15/[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][a2112h-1b_1-5_3*OSO/3=O/3=O]/1-2-3-4-2-5-6-2-7-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_j2-k1_j6-n1_k4-l1_l3-m2_n4-o1_o3-p2
InChIInChI=1S/C123H201N9O93S/c1-29(147)124-57-38(156)10-121(118(185)186,219-95(57)66(162)41(159)13-133)222-99-70(166)44(16-136)197-112(84(99)180)212-89-49(21-141)201-106(61(76(89)172)128-33(5)151)194-27-55-69(165)81(177)103(217-109-64(131-36(8)154)79(175)91(52(24-144)204-109)213-113-85(181)100(71(167)45(17-137)198-113)223-122(119(187)188)11-39(157)58(125-30(2)148)96(220-122)67(163)42(160)14-134)116(208-55)195-28-56-74(170)98(83(179)111(207-56)211-90-50(22-142)202-107(62(77(90)173)129-34(6)152)209-88-48(20-140)196-105(184)60(75(88)171)127-32(4)150)216-117-104(82(178)94(54(26-146)206-117)210-108-63(130-35(7)153)78(174)93(51(23-143)203-108)215-115-87(183)102(225-226(191,192)193)73(169)47(19-139)200-115)218-110-65(132-37(9)155)80(176)92(53(25-145)205-110)214-114-86(182)101(72(168)46(18-138)199-114)224-123(120(189)190)12-40(158)59(126-31(3)149)97(221-123)68(164)43(161)15-135/h38-117,133-146,156-184H,10-28H2,1-9H3,(H,124,147)(H,125,148)(H,126,149)(H,127,150)(H,128,151)(H,129,152)(H,130,153)(H,131,154)(H,132,155)(H,185,186)(H,187,188)(H,189,190)(H,191,192,193)/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-,113-,114-,115-,116-,117+,121-,122-,123-/m0/s1
InChIKeyCQVVNMJEWLCUFB-WVMNIBSBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91850116 (CHEBI:149301) 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)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-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)-[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-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)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
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