Synonyms: | related_synonym: | 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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-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-hexopyranose; Formula=C123H201N9O89; InChI=1S/C123H201N9O89/c1-29-66(159)82(175)86(179)111(195-29)192-26-55-95(77(170)60(105(184)196-55)127-33(5)147)208-108-63(130-36(8)150)79(172)94(50(22-141)202-108)212-115-90(183)102(96(213-107-61(128-34(6)148)76(169)70(163)45(17-136)197-107)56(207-115)27-193-116-103(84(177)71(164)46(18-137)200-116)215-109-64(131-37(9)151)80(173)92(51(23-142)203-109)210-113-88(181)100(74(167)47(19-138)198-113)220-122(119(187)188)12-40(154)58(125-31(3)145)98(218-122)68(161)43(157)15-134)214-117-104(216-110-65(132-38(10)152)81(174)93(52(24-143)204-110)211-114-89(182)101(75(168)48(20-139)199-114)221-123(120(189)190)13-41(155)59(126-32(4)146)99(219-123)69(162)44(158)16-135)85(178)73(166)53(206-117)25-191-106-62(129-35(7)149)78(171)91(49(21-140)201-106)209-112-87(180)83(176)72(165)54(205-112)28-194-121(118(185)186)11-39(153)57(124-30(2)144)97(217-121)67(160)42(156)14-133/h29,39-117,133-143,153-184H,11-28H2,1-10H3,(H,124,144)(H,125,145)(H,126,146)(H,127,147)(H,128,148)(H,129,149)(H,130,150)(H,131,151)(H,132,152)(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; InChIKey=HBZZLHWSLCOEAB-AEIFYKIOSA-N; NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]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)]GlcNAc; SMILES=O([C@H]1[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]3CO)O[C@H]4[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]4CO[C@@H]5O[C@H]([C@@H](O)[C@@H](O)[C@@H]5O)C)O)[C@H]1O)CO[C@H]6O[C@@H]([C@@H](O)[C@H](O)[C@@H]6O[C@@H]7O[C@@H]([C@@H](O[C@@H]8O[C@@H]([C@H](O)[C@H](O[C@]9(O[C@H]([C@H](NC(=O)C)[C@@H](O)C9)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]8O)CO)[C@H](O)[C@H]7NC(=O)C)CO)CO)[C@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@@H]%10O[C@@H]%11O[C@@H]([C@@H](O[C@@H]%12O[C@@H]([C@H](O)[C@H](O[C@]%13(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%13)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]%12O)CO)[C@H](O)[C@H]%11NC(=O)C)CO)CO[C@@H]%14O[C@@H]([C@@H](O[C@@H]%15O[C@@H]([C@H](O)[C@H](O)[C@H]%15O)CO[C@]%16(O[C@H]([C@H](NC(=O)C)[C@@H](O)C%16)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H]%14NC(=O)C)CO; WURCS=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_d6-h1_e4-f1_f3-g2_h4-i1_i6-j2_l2-m1_m4-n1_n3-o2 |