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CHEBI:150094 - CID 91847404

Default Structure
ChEBI IDCHEBI:150094
ChEBI NameCID 91847404
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC146H242N10O105
Net Charge0
Average Mass3817.507
Monoisotopic Mass3815.39043
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2[C@@H](OC[C@H]3O[C@@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]5CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)[C@@H](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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=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@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(C)=O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)O[C@H](CO[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@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]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[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](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,21,20/[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][a1221m-1a_1-5]/1-2-3-4-2-5-2-2-5-2-5-4-2-5-2-5-2-5-2-5-6/a4-b1_a6-u1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f3-g1_h4-i1_i3-j1_j4-k1_l2-m1_l6-q1_m4-n1_n3-o1_o4-p1_q4-r1_r3-s1_s4-t1
InChIInChI=1S/C146H242N10O105/c1-32-73(184)94(205)99(210)136(224-32)222-31-62-118(85(196)63(126(220)225-62)147-33(2)174)246-130-67(151-37(6)178)88(199)116(56(25-170)236-130)254-144-108(219)123(259-146-125(261-135-72(156-42(11)183)93(204)115(58(27-172)241-135)253-141-104(215)119(79(190)47(16-161)231-141)255-128-64(148-34(3)175)84(195)74(185)43(12-157)226-128)103(214)117(59(28-173)242-146)245-129-66(150-36(5)177)87(198)113(55(24-169)235-129)251-142-106(217)121(81(192)49(18-163)232-142)257-132-69(153-39(8)180)90(201)111(53(22-167)238-132)248-138-101(212)96(207)76(187)45(14-159)228-138)83(194)61(243-144)30-223-145-124(260-134-71(155-41(10)182)92(203)114(57(26-171)240-134)252-143-107(218)122(82(193)50(19-164)233-143)258-133-70(154-40(9)181)91(202)112(54(23-168)239-133)249-139-102(213)97(208)77(188)46(15-160)229-139)98(209)78(189)60(244-145)29-221-127-65(149-35(4)176)86(197)109(51(20-165)234-127)250-140-105(216)120(80(191)48(17-162)230-140)256-131-68(152-38(7)179)89(200)110(52(21-166)237-131)247-137-100(211)95(206)75(186)44(13-158)227-137/h32,43-146,157-173,184-220H,12-31H2,1-11H3,(H,147,174)(H,148,175)(H,149,176)(H,150,177)(H,151,178)(H,152,179)(H,153,180)(H,154,181)(H,155,182)(H,156,183)/t32-,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-,123-,124-,125-,126?,127+,128-,129-,130-,131-,132-,133-,134-,135-,136+,137-,138-,139-,140-,141-,142-,143-,144-,145-,146+/m0/s1
InChIKeyVREGFHXZLZLCNW-DKYGCNFASA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847404 (CHEBI:150094) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
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->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)]-alpha-D-manno-hexopyranosyl-(1->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)-[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)]-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
Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-4)[GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G34585DTGlyTouCan
G34585DTGlyGen