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CHEBI:153848 - CID 91858442

ChEBI IDCHEBI:153848
ChEBI NameCID 91858442
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H197N9O88
Net Charge0
Average Mass3173.871
Monoisotopic Mass3172.12168
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@]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]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@]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]5O[C@H](CO)[C@H](O)[C@H](O[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]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@]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=2.0/6,15,14/[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]/1-2-3-4-2-5-6-2-5-6-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h6-k2_i3-j2_l2-m1_m4-n1_n3-o2
InChIInChI=1S/C120H197N9O88/c1-30(143)121-39(14-130)67(161)88(48(160)19-135)203-103-63(126-35(6)148)78(172)90(53(24-140)196-103)206-108-85(179)98(77(171)56(201-108)27-190-111-101(82(176)72(166)49(20-136)195-111)210-104-64(127-36(7)149)80(174)91(54(25-141)197-104)207-109-86(180)99(74(168)50(21-137)193-109)216-119(115(186)187)12-42(154)61(124-33(4)146)96(214-119)70(164)46(158)17-133)209-112-102(211-105-65(128-37(8)150)79(173)89(52(23-139)198-105)205-107-83(177)81(175)73(167)57(202-107)28-191-117(113(182)183)10-40(152)59(122-31(2)144)94(212-117)68(162)44(156)15-131)84(178)92(55(26-142)199-112)204-106-66(129-38(9)151)93(76(170)58(200-106)29-192-118(114(184)185)11-41(153)60(123-32(3)145)95(213-118)69(163)45(157)16-132)208-110-87(181)100(75(169)51(22-138)194-110)217-120(116(188)189)13-43(155)62(125-34(5)147)97(215-120)71(165)47(159)18-134/h39-112,130-142,152-181H,10-29H2,1-9H3,(H,121,143)(H,122,144)(H,123,145)(H,124,146)(H,125,147)(H,126,148)(H,127,149)(H,128,150)(H,129,151)(H,182,183)(H,184,185)(H,186,187)(H,188,189)/t39-,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+,117+,118+,119-,120-/m0/s1
InChIKeyCALWCAHAVZHUMN-RKOQMOGESA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858442 (CHEBI:153848) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G80566CZGlyTouCan
G80566CZGlyGen