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CHEBI:154848 - CID 91848364

ChEBI IDCHEBI:154848
ChEBI NameCID 91848364
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC130H214N8O96
Net Charge0
Average Mass3425.102
Monoisotopic Mass3423.21095
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@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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@]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](O)[C@H](O)[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@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[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@]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](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=2.0/7,18,17/[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][a2112h-1a_1-5][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-6-3-1-4-5-1-4-6-7/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i3-j1_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p3-q1
InChIInChI=1S/C130H214N8O96/c1-29-65(163)82(180)88(186)117(205-29)201-26-56-103(76(174)59(111(195)206-56)133-32(4)153)222-114-62(136-35(7)156)79(177)101(50(22-149)213-114)227-124-96(194)108(230-126-110(93(191)102(51(23-150)216-126)221-113-61(135-34(6)155)78(176)100(49(21-148)212-113)226-123-95(193)107(74(172)45(17-144)210-123)229-119-90(188)84(182)69(167)43(15-142)208-119)232-116-64(138-37(9)158)81(179)99(48(20-147)215-116)224-121-92(190)86(184)71(169)55(219-121)28-204-130(128(198)199)11-39(160)58(132-31(3)152)105(234-130)67(165)41(162)13-140)75(173)53(217-124)25-202-125-109(87(185)72(170)52(220-125)24-200-112-60(134-33(5)154)77(175)97(46(18-145)211-112)225-122-94(192)106(73(171)44(16-143)209-122)228-118-89(187)83(181)68(166)42(14-141)207-118)231-115-63(137-36(8)157)80(178)98(47(19-146)214-115)223-120-91(189)85(183)70(168)54(218-120)27-203-129(127(196)197)10-38(159)57(131-30(2)151)104(233-129)66(164)40(161)12-139/h29,38-126,139-150,159-195H,10-28H2,1-9H3,(H,131,151)(H,132,152)(H,133,153)(H,134,154)(H,135,155)(H,136,156)(H,137,157)(H,138,158)(H,196,197)(H,198,199)/t29-,38-,39-,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-,124-,125-,126+,129+,130+/m0/s1
InChIKeyYTQRWKGGTAITKN-IPKYENJPSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91848364 (CHEBI:154848) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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->2)-[alpha-D-galacto-hexopyranosyl-(1->3)-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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[alpha-D-galacto-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-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
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