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CHEBI:151624 - CID 91852115

ChEBI IDCHEBI:151624
ChEBI NameCID 91852115
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC134H218N10O98
Net Charge0
Average Mass3537.190
Monoisotopic Mass3535.23823
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[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]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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[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](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,17,16/[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][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m6-n2_o4-p1_p6-q2
InChIInChI=1S/C134H218N10O98/c1-32(156)135-63-42(166)11-131(127(202)203,239-107(63)73(174)46(170)15-145)212-28-59-77(178)89(190)94(195)120(224-59)231-101-51(20-150)217-115(68(84(101)185)140-37(6)161)210-26-57-81(182)93(194)112(237-118-71(143-40(9)164)87(188)103(53(22-152)220-118)233-122-96(197)91(192)79(180)61(226-122)30-214-133(129(206)207)13-44(168)65(137-34(3)158)109(241-133)75(176)48(172)17-147)125(228-57)211-27-58-82(183)111(99(200)124(223-58)235-105-55(24-154)218-116(69(86(105)187)141-38(7)162)229-100-50(19-149)216-114(201)67(83(100)184)139-36(5)160)236-126-113(238-119-72(144-41(10)165)88(189)104(54(23-153)221-119)234-123-97(198)92(193)80(181)62(227-123)31-215-134(130(208)209)14-45(169)66(138-35(4)159)110(242-134)76(177)49(173)18-148)98(199)106(56(25-155)222-126)230-117-70(142-39(8)163)85(186)102(52(21-151)219-117)232-121-95(196)90(191)78(179)60(225-121)29-213-132(128(204)205)12-43(167)64(136-33(2)157)108(240-132)74(175)47(171)16-146/h42-126,145-155,166-201H,11-31H2,1-10H3,(H,135,156)(H,136,157)(H,137,158)(H,138,159)(H,139,160)(H,140,161)(H,141,162)(H,142,163)(H,143,164)(H,144,165)(H,202,203)(H,204,205)(H,206,207)(H,208,209)/t42-,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+,131+,132+,133+,134+/m0/s1
InChIKeyLMYUFICQQMAPFC-SBEGHNHLSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91852115 (CHEBI:151624) 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)-[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->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)-[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)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
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