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CHEBI:153703 - CID 91858812

ChEBI IDCHEBI:153703
ChEBI NameCID 91858812
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@]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](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_n6-o2
InChIInChI=1S/C120H197N9O88/c1-30(142)121-39(14-130)67(160)89(48(159)19-135)204-103-63(126-35(6)147)78(171)92(53(24-140)196-103)208-109-87(180)99(77(170)55(201-109)26-190-111-101(83(176)72(165)49(20-136)195-111)211-104-64(127-36(7)148)79(172)90(51(22-138)197-104)206-107-84(177)81(174)73(166)56(202-107)27-191-117(113(182)183)10-40(151)59(122-31(2)143)95(213-117)68(161)44(155)15-131)210-112-102(212-105-65(128-37(8)149)80(173)91(52(23-139)198-105)207-108-85(178)82(175)74(167)57(203-108)28-192-118(114(184)185)11-41(152)60(123-32(3)144)96(214-118)69(162)45(156)16-132)86(179)93(54(25-141)199-112)205-106-66(129-38(9)150)94(76(169)58(200-106)29-193-119(115(186)187)12-42(153)61(124-33(4)145)97(215-119)70(163)46(157)17-133)209-110-88(181)100(75(168)50(21-137)194-110)217-120(116(188)189)13-43(154)62(125-34(5)146)98(216-120)71(164)47(158)18-134/h39-112,130-141,151-181H,10-29H2,1-9H3,(H,121,142)(H,122,143)(H,123,144)(H,124,145)(H,125,146)(H,126,147)(H,127,148)(H,128,149)(H,129,150)(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
InChIKeyGGTMTBAGSIBBTA-PRJGMFOYSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858812 (CHEBI:153703) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G80047ARGlyTouCan
G80047ARGlyGen