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CID 91861966

PropertiesImageOccurences in reactions
MNX_IDMNXM1113228Image of MNXM1113228
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC126H207N9O91
charge0
mass3302.18468
referencechebi:147457
InChIKeyJXCIHENIBJXEJY-LVZTWYHRSA-N
InChIInChI=1S/C126H207N9O91/c1-29-66(161)81(176)86(181)115(198-29)194-25-55-101(75(170)59(108(189)199-55)129-32(4)150)215-112-63(133-36(8)154)78(173)98(50(22-145)205-112)220-120-93(188)105(222-122-107(92(187)100(52(24-147)209-122)214-111-62(132-35(7)153)77(172)95(47(19-142)204-111)217-117-88(183)83(178)71(166)45(17-140)202-117)224-114-65(135-38(10)156)80(175)97(49(21-144)207-114)219-119-90(185)85(180)73(168)54(211-119)28-197-126(124(192)193)12-40(158)58(128-31(3)149)104(226-126)68(163)42(160)14-137)102(221-109-60(130-33(5)151)74(169)69(164)43(15-138)200-109)56(212-120)26-195-121-106(91(186)99(51(23-146)208-121)213-110-61(131-34(6)152)76(171)94(46(18-141)203-110)216-116-87(182)82(177)70(165)44(16-139)201-116)223-113-64(134-37(9)155)79(174)96(48(20-143)206-113)218-118-89(184)84(179)72(167)53(210-118)27-196-125(123(190)191)11-39(157)57(127-30(2)148)103(225-125)67(162)41(159)13-136/h29,39-122,136-147,157-189H,11-28H2,1-10H3,(H,127,148)(H,128,149)(H,129,150)(H,130,151)(H,131,152)(H,132,153)(H,133,154)(H,134,155)(H,135,156)(H,190,191)(H,192,193)/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-,118-,119-,120-,121-,122+,125+,126+/m0/s1
SMILESCC(=O)N[C@H]1C(O)O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[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]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[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](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[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](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:147457
chebi:147457
CID 91861966
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)-[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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc
WURCS=2.0/7,17,16/[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]/1-2-3-4-2-5-6-2-5-2-4-2-5-6-2-5-7/a4-b1_a6-q1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_k2-l1_k4-o1_l4-m1_m6-n2_o4-p1