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CHEBI:148291 - CID 71298054

ChEBI IDCHEBI:148291
ChEBI NameCID 71298054
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC157H257N11O114
Net Charge0
Average Mass4122.746
Monoisotopic Mass4120.46511
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@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H]7O)[C@H](O)[C@H]6NC(C)=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](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@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=2.0/7,21,20/[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]/1-2-3-4-2-5-6-2-5-4-2-5-2-5-6-2-5-2-5-6-7/a4-b1_a6-u1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_j2-k1_j6-p1_k4-l1_l3-m1_m4-n1_n3-o2_p4-q1_q3-r1_r4-s1_s3-t2
InChIInChI=1S/C157H257N11O114/c1-36-82(203)102(223)105(226)142(245-36)243-35-70-122(94(215)74(134(235)246-70)161-40(5)189)264-137-77(164-43(8)192)97(218)117(62(27-180)255-137)268-146-110(231)128(274-151-133(107(228)121(67(32-185)260-151)263-136-76(163-42(7)191)96(217)115(61(26-179)254-136)265-143-106(227)103(224)86(207)54(19-172)247-143)276-141-81(168-47(12)196)101(222)120(66(31-184)259-141)271-149-113(234)131(92(213)59(24-177)252-149)282-157(154(240)241)15-50(199)73(160-39(4)188)125(279-157)85(206)53(202)18-171)93(214)69(261-146)34-244-150-132(275-140-80(167-46(11)195)100(221)116(65(30-183)258-140)267-145-109(230)127(89(210)56(21-174)249-145)273-139-79(166-45(10)194)99(220)119(64(29-182)257-139)270-148-112(233)130(91(212)58(23-176)251-148)281-156(153(238)239)14-49(198)72(159-38(3)187)124(278-156)84(205)52(201)17-170)104(225)87(208)68(262-150)33-242-135-75(162-41(6)190)95(216)114(60(25-178)253-135)266-144-108(229)126(88(209)55(20-173)248-144)272-138-78(165-44(9)193)98(219)118(63(28-181)256-138)269-147-111(232)129(90(211)57(22-175)250-147)280-155(152(236)237)13-48(197)71(158-37(2)186)123(277-155)83(204)51(200)16-169/h36,48-151,169-185,197-235H,13-35H2,1-12H3,(H,158,186)(H,159,187)(H,160,188)(H,161,189)(H,162,190)(H,163,191)(H,164,192)(H,165,193)(H,166,194)(H,167,195)(H,168,196)(H,236,237)(H,238,239)(H,240,241)/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-,147-,148-,149-,150-,151+,155-,156-,157-/m0/s1
InChIKeyOCNAQFDYPAZTQD-MSNKUUHKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 71298054 (CHEBI:148291) 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->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)-[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(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G20758LCGlyTouCan
G20758LCGlyGen