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CHEBI:154647 - CID 91850256

ChEBI IDCHEBI:154647
ChEBI NameCID 91850256
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC129H211N9O94
Net Charge0
Average Mass3392.076
Monoisotopic Mass3390.20072
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@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](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@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](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]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=2.0/6,17,16/[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]/1-1-2-3-1-4-1-4-5-3-1-4-5-1-4-5-6/a4-b1_a6-q1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g4-h1_h3-i2_j2-k1_j6-n1_k4-l1_l3-m2_n4-o1_o3-p2
InChIInChI=1S/C129H211N9O94/c1-30-68(167)84(183)87(186)116(203-30)201-29-58-100(78(177)62(110(193)204-58)133-34(5)155)218-113-65(136-37(8)158)81(180)96(52(23-148)211-113)220-118-90(189)104(224-123-109(226-115-67(138-39(10)160)82(181)95(51(22-147)213-115)219-117-88(187)85(184)72(171)46(17-142)205-117)89(188)99(55(26-151)214-123)217-112-64(135-36(7)157)80(179)97(53(24-149)210-112)222-120-92(191)106(75(174)48(19-144)207-120)231-128(125(196)197)12-41(162)60(131-32(3)153)102(228-128)70(169)44(165)15-140)77(176)57(215-118)28-202-122-108(225-114-66(137-38(9)159)83(182)98(54(25-150)212-114)223-121-93(192)107(76(175)49(20-145)208-121)232-129(126(198)199)13-42(163)61(132-33(4)154)103(229-129)71(170)45(166)16-141)86(185)73(172)56(216-122)27-200-111-63(134-35(6)156)79(178)94(50(21-146)209-111)221-119-91(190)105(74(173)47(18-143)206-119)230-127(124(194)195)11-40(161)59(130-31(2)152)101(227-127)69(168)43(164)14-139/h30,40-123,139-151,161-193H,11-29H2,1-10H3,(H,130,152)(H,131,153)(H,132,154)(H,133,155)(H,134,156)(H,135,157)(H,136,158)(H,137,159)(H,138,160)(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
InChIKeyIVFWALNGPXAYFR-KPYQADQFSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91850256 (CHEBI:154647) 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->4)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)]-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->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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)[Gal(b1-4)GlcNAc(b1-2)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
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