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CHEBI:146097 - CID 91850586

ChEBI IDCHEBI:146097
ChEBI NameCID 91850586
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC135H221N9O97
Net Charge0
Average Mass3522.219
Monoisotopic Mass3520.26372
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](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]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O[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]6O[C@@H](C)[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@]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]5O[C@@H](C)[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=2.0/6,18,17/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2112h-1b_1-5][a1221m-1a_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-1-2-3-1-4-5-6-1-4-5-6-1-3-1-4-6-5/a4-b1_a6-r1_b4-c1_c3-d1_c4-m1_c6-n1_d2-e1_d6-i1_e4-f1_f2-g1_f6-h2_i4-j1_j2-k1_j6-l2_n2-o1_o4-p1_p6-q2
InChIInChI=1S/C135H221N9O97/c1-31-70(169)88(187)96(195)121(213-31)208-26-59-105(83(182)64(115(200)216-59)139-37(7)157)228-118-67(142-40(10)160)85(184)102(53(23-152)220-118)230-125-100(199)110(106(233-117-65(140-38(8)158)82(181)76(175)49(19-148)217-117)60(227-125)27-209-126-111(92(191)77(176)50(20-149)218-126)235-119-68(143-41(11)161)86(185)101(52(22-151)221-119)229-124-99(198)91(190)78(177)56(223-124)28-210-133(130(201)202)13-43(163)61(136-34(4)154)107(239-133)73(172)46(166)16-145)234-129-112(236-120-69(144-42(12)162)87(186)104(54(24-153)222-120)232-128-114(238-123-98(197)90(189)72(171)33(3)215-123)95(194)81(180)58(226-128)30-212-135(132(205)206)15-45(165)63(138-36(6)156)109(241-135)75(174)48(168)18-147)93(192)79(178)55(224-129)25-207-116-66(141-39(9)159)84(183)103(51(21-150)219-116)231-127-113(237-122-97(196)89(188)71(170)32(2)214-122)94(193)80(179)57(225-127)29-211-134(131(203)204)14-44(164)62(137-35(5)155)108(240-134)74(173)47(167)17-146/h31-33,43-129,145-153,163-200H,13-30H2,1-12H3,(H,136,154)(H,137,155)(H,138,156)(H,139,157)(H,140,158)(H,141,159)(H,142,160)(H,143,161)(H,144,162)(H,201,202)(H,203,204)(H,205,206)/t31-,32-,33-,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-,127-,128-,129+,133+,134+,135+/m0/s1
InChIKeyLRDNMLMXAVWBCE-AZBIDXEMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91850586 (CHEBI:146097) is a polysaccharide (CHEBI:18154)
Synonyms  Source
6-deoxy-alpha-L-galacto-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->2)-[6-deoxy-alpha-L-galacto-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->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-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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
Fuc(a1-2)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-2)[Fuc(a1-2)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-6)]Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G00666ECGlyGen
G00666ECGlyTouCan