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CHEBI:157126 - CID 146016262

Default Structure
ChEBI IDCHEBI:157126
ChEBI NameCID 146016262
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC140H228N10O103
Net Charge0
Average Mass3699.331
Monoisotopic Mass3697.29105
SMILESCC(=O)N[C@@H]1[C@@H](O)[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]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](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@]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]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(=O)CO)[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]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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/7,18,17/[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][Aad21122h-2a_2-6_5*NCCO/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-6-3-1-4-5-1-4-5-7/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m3-n2_o4-p1_p6-q2
InChIInChI=1S/C140H228N10O103/c1-33-75(182)92(199)96(203)125(224-33)220-30-63-109(86(193)69(119(210)225-63)144-37(5)167)239-122-72(147-40(8)170)89(196)105(55(23-159)230-122)242-128-100(207)114(245-132-118(247-124-74(149-42(10)172)91(198)107(57(25-161)232-124)244-130-102(209)116(84(191)52(20-156)227-130)253-140(136(217)218)14-46(176)67(143-36(4)166)112(251-140)78(185)49(179)17-153)99(206)108(58(26-162)233-132)238-121-71(146-39(7)169)88(195)104(54(22-158)229-121)241-127-98(205)94(201)81(188)62(236-127)32-223-138(134(213)214)12-44(174)68(150-64(181)27-163)113(249-138)79(186)50(180)18-154)85(192)60(234-128)29-221-131-117(246-123-73(148-41(9)171)90(197)106(56(24-160)231-123)243-129-101(208)115(83(190)51(19-155)226-129)252-139(135(215)216)13-45(175)66(142-35(3)165)111(250-139)77(184)48(178)16-152)95(202)82(189)59(237-131)28-219-120-70(145-38(6)168)87(194)103(53(21-157)228-120)240-126-97(204)93(200)80(187)61(235-126)31-222-137(133(211)212)11-43(173)65(141-34(2)164)110(248-137)76(183)47(177)15-151/h33,43-63,65-132,151-163,173-180,182-210H,11-32H2,1-10H3,(H,141,164)(H,142,165)(H,143,166)(H,144,167)(H,145,168)(H,146,169)(H,147,170)(H,148,171)(H,149,172)(H,150,181)(H,211,212)(H,213,214)(H,215,216)(H,217,218)/t33-,43-,44-,45-,46-,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,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+,137+,138+,139-,140-/m0/s1
InChIKeyATHDGYKVWPVZCC-FNMPSOAMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146016262 (CHEBI:157126) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
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->2)-[3,5-dideoxy-5-glycolamido-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)-[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->6)-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G12594VBGlyGen
G12594VBGlyTouCan