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CHEBI:149324 - CID 91855769

ChEBI IDCHEBI:149324
ChEBI NameCID 91855769
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC123H201N9O89
Net Charge0
Average Mass3229.935
Monoisotopic Mass3228.14790
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](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]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]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][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-5-6-2-4-2-5-6-7/a4-b1_a6-p1_b4-c1_c3-d1_c4-k1_c6-l1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_l2-m1_m4-n1_n3-o2
InChIInChI=1S/C123H201N9O89/c1-29-66(161)81(176)83(178)111(193-29)191-27-55-94(76(171)60(105(184)194-55)127-33(5)149)207-108-63(130-36(8)152)78(173)92(51(23-142)201-108)211-115-88(183)102(95(212-106-61(128-34(6)150)75(170)70(165)45(17-136)195-106)56(205-115)28-192-116-103(82(177)71(166)46(18-137)199-116)214-109-64(131-37(9)153)79(174)90(52(24-143)202-109)209-113-86(181)100(73(168)48(20-139)197-113)220-122(119(187)188)12-40(156)58(125-31(3)147)97(217-122)68(163)43(159)15-134)213-117-104(215-110-65(132-38(10)154)80(175)91(53(25-144)203-110)210-114-87(182)101(74(169)49(21-140)198-114)221-123(120(189)190)13-41(157)59(126-32(4)148)98(218-123)69(164)44(160)16-135)84(179)93(54(26-145)204-117)206-107-62(129-35(7)151)77(172)89(50(22-141)200-107)208-112-85(180)99(72(167)47(19-138)196-112)219-121(118(185)186)11-39(155)57(124-30(2)146)96(216-121)67(162)42(158)14-133/h29,39-117,133-145,155-184H,11-28H2,1-10H3,(H,124,146)(H,125,147)(H,126,148)(H,127,149)(H,128,150)(H,129,151)(H,130,152)(H,131,153)(H,132,154)(H,185,186)(H,187,188)(H,189,190)/t29-,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
InChIKeyRVGAGUHGKOGWQA-LPQURTGBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855769 (CHEBI:149324) 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->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)][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(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G33150PJGlyGen
G33150PJGlyTouCan