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CHEBI:150437 - CID 91855139

Default Structure
ChEBI IDCHEBI:150437
ChEBI NameCID 91855139
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC127H205N11O91
Net Charge0
Average Mass3342.023
Monoisotopic Mass3340.17518
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]4[C@@H](O)[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)O[C@@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]6[C@@H](O)[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)O[C@H](O)[C@H]6NC(C)=O)O[C@@H]5CO)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[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](O)[C@@H](O[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]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,15,14/[a2112h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-2-3-2-3-2-3-2-4-4-4-4-4/a3-b1_a6-o2_b4-c1_c3-d1_c6-n2_d4-e1_e3-f1_e6-m2_f4-g1_g3-h1_g6-l2_h4-i1_i3-j1_i6-k2
InChIInChI=1S/C127H205N11O91/c1-32(149)128-63-43(160)12-123(118(191)192,225-99(63)74(170)48(165)17-139)201-27-58-80(176)98(73(108(190)206-58)138-42(11)159)220-110-69(134-38(7)155)86(182)94(54(23-145)208-110)216-115-91(187)105(82(178)60(213-115)29-203-125(120(195)196)14-45(162)65(130-34(3)151)101(227-125)76(172)50(167)19-141)222-112-71(136-40(9)157)88(184)96(56(25-147)210-112)218-117-93(189)107(84(180)62(215-117)31-205-127(122(199)200)16-47(164)67(132-36(5)153)103(229-127)78(174)52(169)21-143)224-113-72(137-41(10)158)89(185)97(57(26-148)211-113)219-116-92(188)106(83(179)61(214-116)30-204-126(121(197)198)15-46(163)66(131-35(4)152)102(228-126)77(173)51(168)20-142)223-111-70(135-39(8)156)87(183)95(55(24-146)209-111)217-114-90(186)104(221-109-68(133-37(6)154)85(181)79(175)53(22-144)207-109)81(177)59(212-114)28-202-124(119(193)194)13-44(161)64(129-33(2)150)100(226-124)75(171)49(166)18-140/h43-117,139-148,160-190H,12-31H2,1-11H3,(H,128,149)(H,129,150)(H,130,151)(H,131,152)(H,132,153)(H,133,154)(H,134,155)(H,135,156)(H,136,157)(H,137,158)(H,138,159)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)/t43-,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-,123+,124+,125+,126+,127+/m0/s1
InChIKeyQWKYLZAWJGYCHB-ZLKYNQMHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855139 (CHEBI:150437) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
2-acetamido-2-deoxy-beta-D-gluco-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->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->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->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->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)]-2-acetamido-2-deoxy-alpha-D-galacto-hexopyranoseSUBMITTER
GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]Gal(b1-4)GlcNAc(b1-3)[NeuAc(a2-6)]a-GalNAcSUBMITTER
Manual XrefsDatabases
G39100MYGlyTouCan
G39100MYGlyGen