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CHEBI:154658 - CID 91856151

ChEBI IDCHEBI:154658
ChEBI NameCID 91856151
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC127H207N11O91
Net Charge0
Average Mass3344.039
Monoisotopic Mass3342.19083
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]([C@@H](O)[C@H](O)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](CO)NC(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/[h2112h_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/C127H207N11O91/c1-33(150)128-44(17-139)95(80(177)55(171)28-202-123(118(192)193)12-45(161)65(129-34(2)151)100(225-123)75(172)50(166)18-140)216-110-71(135-40(8)157)87(184)96(57(24-146)208-110)217-115-92(189)106(83(180)62(213-115)30-204-125(120(196)197)14-47(163)67(131-36(4)153)102(227-125)77(174)52(168)20-142)222-112-73(137-42(10)159)89(186)98(59(26-148)210-112)219-117-94(191)108(85(182)64(215-117)32-206-127(122(200)201)16-49(165)69(133-38(6)155)104(229-127)79(176)54(170)22-144)224-113-74(138-43(11)160)90(187)99(60(27-149)211-113)220-116-93(190)107(84(181)63(214-116)31-205-126(121(198)199)15-48(164)68(132-37(5)154)103(228-126)78(175)53(169)21-143)223-111-72(136-41(9)158)88(185)97(58(25-147)209-111)218-114-91(188)105(221-109-70(134-39(7)156)86(183)81(178)56(23-145)207-109)82(179)61(212-114)29-203-124(119(194)195)13-46(162)66(130-35(3)152)101(226-124)76(173)51(167)19-141/h44-117,139-149,161-191H,12-32H2,1-11H3,(H,128,150)(H,129,151)(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,192,193)(H,194,195)(H,196,197)(H,198,199)(H,200,201)/t44-,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
InChIKeyZRKNGXQXXAJAGV-JLSXFTJUSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91856151 (CHEBI:154658) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G83567OSGlyTouCan
G83567OSGlyGen