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CHEBI:152222 - CID 91845987

ChEBI IDCHEBI:152222
ChEBI NameCID 91845987
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC113H184N10O81
Net Charge0
Average Mass2978.704
Monoisotopic Mass2977.05863
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@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O4)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/4,13,12/[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]/1-2-3-2-3-2-3-2-4-4-4-4-4/a3-b1_a6-m2_b4-c1_c3-d1_c6-l2_d4-e1_e3-f1_e6-k2_f4-g1_g3-h1_g6-j2_h4-i2
InChIInChI=1S/C113H184N10O81/c1-30(134)114-40(16-124)84(73(160)51(154)26-181-109(104(171)172)11-41(144)59(115-31(2)135)89(200-109)68(155)46(149)17-125)192-97-64(120-36(7)140)77(164)85(52(22-130)185-97)193-101-81(168)94(74(161)56(189-101)27-182-110(105(173)174)12-42(145)60(116-32(3)136)90(201-110)69(156)47(150)18-126)196-98-65(121-37(8)141)78(165)86(53(23-131)186-98)194-102-82(169)95(75(162)57(190-102)28-183-111(106(175)176)13-43(146)61(117-33(4)137)91(202-111)70(157)48(151)19-127)197-99-66(122-38(9)142)79(166)87(54(24-132)187-99)195-103-83(170)96(76(163)58(191-103)29-184-112(107(177)178)14-44(147)62(118-34(5)138)92(203-112)71(158)49(152)20-128)198-100-67(123-39(10)143)80(167)88(55(25-133)188-100)199-113(108(179)180)15-45(148)63(119-35(6)139)93(204-113)72(159)50(153)21-129/h40-103,124-133,144-170H,11-29H2,1-10H3,(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,143)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H,179,180)/t40-,41-,42-,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-,109+,110+,111+,112+,113+/m0/s1
InChIKeyOQVAIBMBLHXLJU-TVDLPSOHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845987 (CHEBI:152222) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G58006UMGlyGen
G58006UMGlyTouCan