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CHEBI:146726 - CID 91861583

ChEBI IDCHEBI:146726
ChEBI NameCID 91861583
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC118H198N8O86
Net Charge0
Average Mass3104.852
Monoisotopic Mass3103.13661
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](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=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](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[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=2.0/5,17,16/[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]/1-2-3-4-2-5-2-5-2-5-4-2-5-2-5-2-5/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_e4-f1_f3-g1_g4-h1_h3-i1_i4-j1_k2-l1_l4-m1_m3-n1_n4-o1_o3-p1_p4-q1
InChIInChI=1S/C118H198N8O86/c1-27(144)119-35(9-127)60(153)88(36(152)10-128)198-103-53(120-28(2)145)70(163)95(47(21-139)190-103)205-116-87(180)100(210-118-102(80(173)64(157)40(14-132)189-118)212-109-59(126-34(8)151)76(169)94(51(25-143)196-109)204-115-86(179)99(68(161)44(18-136)187-115)209-107-57(124-32(6)149)74(167)92(49(23-141)194-107)202-113-84(177)97(66(159)42(16-134)185-113)207-105-55(122-30(4)147)72(165)90(46(20-138)192-105)200-111-82(175)78(171)62(155)38(12-130)183-111)69(162)52(197-116)26-181-117-101(79(172)63(156)39(13-131)188-117)211-108-58(125-33(7)150)75(168)93(50(24-142)195-108)203-114-85(178)98(67(160)43(17-135)186-114)208-106-56(123-31(5)148)73(166)91(48(22-140)193-106)201-112-83(176)96(65(158)41(15-133)184-112)206-104-54(121-29(3)146)71(164)89(45(19-137)191-104)199-110-81(174)77(170)61(154)37(11-129)182-110/h35-118,127-143,152-180H,9-26H2,1-8H3,(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,148)(H,124,149)(H,125,150)(H,126,151)/t35-,36+,37+,38+,39+,40+,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-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118+/m0/s1
InChIKeyAGQVHPLTCZALSW-LNZLDYGZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91861583 (CHEBI:146726) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G04598XUGlyGen
G04598XUGlyTouCan