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CHEBI:150107 - CID 91855291

ChEBI IDCHEBI:150107
ChEBI NameCID 91855291
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC134H220N10O98
Net Charge0
Average Mass3539.206
Monoisotopic Mass3537.25388
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO)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/[h2122h_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/C134H220N10O98/c1-33(157)135-43(15-145)74(176)101(52(175)20-150)229-116-70(141-39(7)163)86(188)106(57(25-155)218-116)235-124-100(202)112(236-126-114(238-119-73(144-42(10)166)89(191)105(56(24-154)221-119)234-123-98(200)93(195)82(184)64(227-123)32-216-134(130(209)210)14-47(170)68(139-37(5)161)111(242-134)78(180)51(174)19-149)99(201)107(58(26-156)222-126)230-117-71(142-40(8)164)87(189)103(54(22-152)219-117)232-121-96(198)91(193)80(182)62(225-121)30-214-132(128(205)206)12-45(168)66(137-35(3)159)109(240-132)76(178)49(172)17-147)84(186)60(223-124)28-212-125-113(237-118-72(143-41(9)165)88(190)104(55(23-153)220-118)233-122-97(199)92(194)81(183)63(226-122)31-215-133(129(207)208)13-46(169)67(138-36(4)160)110(241-133)77(179)50(173)18-148)94(196)83(185)59(228-125)27-211-115-69(140-38(6)162)85(187)102(53(21-151)217-115)231-120-95(197)90(192)79(181)61(224-120)29-213-131(127(203)204)11-44(167)65(136-34(2)158)108(239-131)75(177)48(171)16-146/h43-126,145-156,167-202H,11-32H2,1-10H3,(H,135,157)(H,136,158)(H,137,159)(H,138,160)(H,139,161)(H,140,162)(H,141,163)(H,142,164)(H,143,165)(H,144,166)(H,203,204)(H,205,206)(H,207,208)(H,209,210)/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-,118-,119-,120-,121-,122-,123-,124-,125-,126+,131+,132+,133+,134+/m0/s1
InChIKeyKUAPJJAOUGUUCM-LIQYBXBSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855291 (CHEBI:150107) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G34626UEGlyTouCan
G34626UEGlyGen