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CHEBI:157527 - CID 146017599

Default Structure
ChEBI IDCHEBI:157527
ChEBI NameCID 146017599
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC129H211N9O94
Net Charge0
Average Mass3392.076
Monoisotopic Mass3390.20072
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[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@H](O)O[C@@H]5CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO)[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@@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]3O)O[C@H](CO)[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@]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)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[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]/1-1-2-3-1-4-5-1-4-5-3-1-4-1-4-5-6/a4-b1_a6-q1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_l4-m1_m3-n1_n4-o1_o3-p2
InChIInChI=1S/C129H211N9O94/c1-30-68(168)84(184)86(186)116(202-30)200-29-58-99(78(178)62(110(193)203-58)133-34(5)156)217-112-64(135-36(7)158)80(180)94(51(22-147)210-112)219-118-89(189)104(77(177)57(215-118)28-201-122-108(85(185)72(172)46(17-142)208-122)225-114-66(137-38(9)160)82(182)93(54(25-150)212-114)218-117-88(188)103(73(173)47(18-143)204-117)223-113-65(136-37(8)159)81(181)96(53(24-149)211-113)221-120-91(191)106(75(175)49(20-145)206-120)231-128(125(196)197)12-41(163)60(131-32(3)154)101(228-128)70(170)44(166)15-140)224-123-109(226-115-67(138-39(10)161)83(183)97(55(26-151)213-115)222-121-92(192)107(76(176)50(21-146)207-121)232-129(126(198)199)13-42(164)61(132-33(4)155)102(229-129)71(171)45(167)16-141)87(187)98(56(27-152)214-123)216-111-63(134-35(6)157)79(179)95(52(23-148)209-111)220-119-90(190)105(74(174)48(19-144)205-119)230-127(124(194)195)11-40(162)59(130-31(2)153)100(227-127)69(169)43(165)14-139/h30,40-123,139-152,162-193H,11-29H2,1-10H3,(H,130,153)(H,131,154)(H,132,155)(H,133,156)(H,134,157)(H,135,158)(H,136,159)(H,137,160)(H,138,161)(H,194,195)(H,196,197)(H,198,199)/t30-,40-,41-,42-,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+,127-,128-,129-/m0/s1
InChIKeyCOUBUUXSGUVBTL-UCFJTCIOSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017599 (CHEBI:157527) 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->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)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)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G68080URGlyTouCan
G68080URGlyGen