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CHEBI:149259 - CID 91845081

ChEBI IDCHEBI:149259
ChEBI NameCID 91845081
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC114H192N6O82
Net Charge0
Average Mass2958.750
Monoisotopic Mass2957.10385
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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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@H](O)[C@H](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]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[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@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][a1221m-1a_1-5]/1-2-3-4-2-5-2-6-5-4-2-6-5-2-6-5-6/a4-b1_a6-q1_b4-c1_c3-d1_c6-j1_d2-e1_d4-g1_e4-f1_g3-h1_g4-i1_j2-k1_j6-n1_k3-l1_k4-m1_n3-o1_n4-p1
InChIInChI=1S/C114H192N6O82/c1-25-54(139)67(152)76(161)104(174-25)171-22-36(138)86(58(143)35(11-121)115-29(5)132)190-100-49(116-30(6)133)65(150)88(42(17-127)183-100)193-112-85(170)96(200-114-98(202-101-50(117-31(7)134)66(151)87(41(16-126)184-101)192-108-80(165)71(156)59(144)37(12-122)178-108)84(169)89(43(18-128)187-114)191-102-52(119-33(9)136)94(198-106-78(163)69(154)56(141)27(3)176-106)91(45(20-130)185-102)195-110-82(167)73(158)61(146)39(14-124)180-110)64(149)48(188-112)24-173-113-97(201-103-53(120-34(10)137)95(199-107-79(164)70(155)57(142)28(4)177-107)92(46(21-131)186-103)196-111-83(168)74(159)62(147)40(15-125)181-111)75(160)63(148)47(189-113)23-172-99-51(118-32(8)135)93(197-105-77(162)68(153)55(140)26(2)175-105)90(44(19-129)182-99)194-109-81(166)72(157)60(145)38(13-123)179-109/h25-28,35-114,121-131,138-170H,11-24H2,1-10H3,(H,115,132)(H,116,133)(H,117,134)(H,118,135)(H,119,136)(H,120,137)/t25-,26-,27-,28-,35-,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+/m0/s1
InChIKeyYIKWMDSPMBJQST-KQCZRHTESA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91845081 (CHEBI:149259) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G32358YVGlyGen
G32358YVGlyTouCan