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CHEBI:155406 - CID 71298015

ChEBI IDCHEBI:155406
ChEBI NameCID 71298015
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC154H251N11O112
Net Charge0
Average Mass4048.667
Monoisotopic Mass4046.42833
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]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@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[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](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=2.0/7,20,19/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-2-5-6-2-5-6-7/a4-b1_a6-t1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_k6-q1_l4-m1_m3-n1_n4-o1_o3-p2_q4-r1_r3-s2
InChIInChI=1S/C154H251N11O112/c1-36-82(201)101(220)103(222)138(242-36)240-35-70-118(94(213)75(131(230)243-70)159-41(6)186)259-134-78(162-44(9)189)97(216)113(62(27-176)251-134)261-140-106(225)124(267-146-130(269-137-81(165-47(12)192)100(219)116(66(31-180)254-137)265-144-110(229)128(92(211)60(25-174)248-144)277-154(150(237)238)16-51(196)74(158-40(5)185)122(273-154)86(205)55(200)20-169)104(223)117(67(32-181)255-146)258-133-77(161-43(8)188)96(215)114(63(28-177)250-133)263-142-108(227)126(90(209)58(23-172)246-142)275-152(148(233)234)14-49(194)72(156-38(3)183)120(271-152)84(203)53(198)18-167)93(212)69(256-140)34-241-145-129(102(221)87(206)68(257-145)33-239-132-76(160-42(7)187)95(214)111(61(26-175)249-132)262-141-107(226)125(89(208)57(22-171)245-141)274-151(147(231)232)13-48(193)71(155-37(2)182)119(270-151)83(202)52(197)17-166)268-136-80(164-46(11)191)99(218)112(65(30-179)253-136)260-139-105(224)123(88(207)56(21-170)244-139)266-135-79(163-45(10)190)98(217)115(64(29-178)252-135)264-143-109(228)127(91(210)59(24-173)247-143)276-153(149(235)236)15-50(195)73(157-39(4)184)121(272-153)85(204)54(199)19-168/h36,48-146,166-181,193-230H,13-35H2,1-12H3,(H,155,182)(H,156,183)(H,157,184)(H,158,185)(H,159,186)(H,160,187)(H,161,188)(H,162,189)(H,163,190)(H,164,191)(H,165,192)(H,231,232)(H,233,234)(H,235,236)(H,237,238)/t36-,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+,123-,124-,125-,126-,127-,128-,129-,130-,131?,132+,133-,134-,135-,136-,137-,138+,139-,140-,141-,142-,143-,144-,145-,146+,151-,152-,153-,154-/m0/s1
InChIKeyRNJJQQSSILOTSG-YABWDZRMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71298015 (CHEBI:155406) 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->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)-[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)]-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(b1-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G92594VGGlyGen
G92594VGGlyTouCan