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CHEBI:155020 - CID 91858320

ChEBI IDCHEBI:155020
ChEBI NameCID 91858320
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@]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](O)[C@@H]3O[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]6O[C@H](CO[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](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](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@]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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[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_f6-g2_h4-i1_i6-j2_k2-l1_k6-q1_l4-m1_m4-n1_n4-o1_o6-p2_q4-r1_r6-s2
InChIInChI=1S/C154H251N11O112/c1-36-82(197)100(215)107(222)138(246-36)240-31-70-123(93(208)75(131(230)247-70)159-41(6)182)264-135-79(163-45(10)186)97(212)120(61(26-175)251-135)270-144-114(229)128(271-146-130(273-137-81(165-47(12)188)99(214)118(59(24-173)253-137)268-142-111(226)104(219)90(205)69(260-142)35-245-154(150(237)238)16-51(192)74(158-40(5)181)127(277-154)86(201)55(196)20-169)113(228)122(63(28-177)255-146)263-134-78(162-44(9)185)96(211)117(58(23-172)250-134)267-141-110(225)103(218)89(204)68(259-141)34-244-153(149(235)236)15-50(191)73(157-39(4)180)126(276-153)85(200)54(195)19-168)92(207)65(256-144)30-241-145-129(105(220)91(206)64(261-145)29-239-132-76(160-42(7)183)94(209)115(56(21-170)248-132)265-139-108(223)101(216)87(202)66(257-139)32-242-151(147(231)232)13-48(189)71(155-37(2)178)124(274-151)83(198)52(193)17-166)272-136-80(164-46(11)187)98(213)119(60(25-174)252-136)269-143-112(227)106(221)121(62(27-176)254-143)262-133-77(161-43(8)184)95(210)116(57(22-171)249-133)266-140-109(224)102(217)88(203)67(258-140)33-243-152(148(233)234)14-49(190)72(156-38(3)179)125(275-152)84(199)53(194)18-167/h36,48-146,166-177,189-230H,13-35H2,1-12H3,(H,155,178)(H,156,179)(H,157,180)(H,158,181)(H,159,182)(H,160,183)(H,161,184)(H,162,185)(H,163,186)(H,164,187)(H,165,188)(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
InChIKeyIOAKQHUUWGDFQX-VWHIGZKESA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858320 (CHEBI:155020) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->4)-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->6)-[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)-[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->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(a2-6)Gal(b1-4)GlcNAc(b1-4)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G84975ALGlyTouCan
G84975ALGlyGen