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CHEBI:147452 - CID 91847947

ChEBI IDCHEBI:147452
ChEBI NameCID 91847947
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC125H209N7O90
Net Charge0
Average Mass3250.006
Monoisotopic Mass3248.19927
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]([C@H](O)[C@H](CO)NC(C)=O)[C@H](O)CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)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]6O)[C@H](O[C@@H]6O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,18,17/[h2122h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-2-5-6-2-6-7-4-2-5-6-2-5-6-5/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_e3-f1_e4-g1_g3-h1_h4-i1_i6-j2_k2-l1_l3-m1_l4-n1_n3-o1_o3-p1_o4-q1
InChIInChI=1S/C125H209N7O90/c1-28-61(155)76(170)84(178)113(192-28)189-25-42(154)93(65(159)39(13-133)126-32(5)145)208-108-56(128-34(7)147)74(168)95(49(21-141)201-108)210-121-92(186)105(73(167)53(206-121)26-190-122-106(82(176)68(162)44(16-136)199-122)220-111-59(131-37(10)150)101(215-115-86(180)78(172)63(157)30(3)194-115)97(51(23-143)204-111)213-120-91(185)104(72(166)47(19-139)198-120)218-110-58(130-36(9)149)100(214-114-85(179)77(171)62(156)29(2)193-114)96(50(22-142)203-110)211-117-88(182)80(174)67(161)43(15-135)196-117)219-123-107(83(177)69(163)45(17-137)200-123)221-112-60(132-38(11)151)102(216-116-87(181)79(173)64(158)31(4)195-116)98(52(24-144)205-112)212-119-90(184)103(71(165)46(18-138)197-119)217-109-57(129-35(8)148)75(169)94(48(20-140)202-109)209-118-89(183)81(175)70(164)54(207-118)27-191-125(124(187)188)12-40(152)55(127-33(6)146)99(222-125)66(160)41(153)14-134/h28-31,39-123,133-144,152-186H,12-27H2,1-11H3,(H,126,145)(H,127,146)(H,128,147)(H,129,148)(H,130,149)(H,131,150)(H,132,151)(H,187,188)/t28-,29-,30-,31-,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-,119-,120-,121-,122-,123+,125+/m0/s1
InChIKeyDOZKAGDMAANJTD-WHRFCYRGSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847947 (CHEBI:147452) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G13688QPGlyGen
G13688QPGlyTouCan