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CHEBI:147739 - CID 91847368

ChEBI IDCHEBI:147739
ChEBI NameCID 91847368
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC120H202N6O86
Net Charge0
Average Mass3104.892
Monoisotopic Mass3103.16176
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@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]2O)[C@@H]1O
WURCSWURCS=2.0/6,18,17/[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]/1-2-3-4-2-5-6-2-5-6-4-2-5-6-2-5-6-5/a4-b1_a6-r1_b4-c1_c3-d1_c6-k1_d2-e1_e3-f1_e4-g1_g3-h1_h3-i1_h4-j1_k2-l1_l3-m1_l4-n1_n3-o1_o3-p1_o4-q1
InChIInChI=1S/C120H202N6O86/c1-26-56(146)70(160)79(169)109(181-26)179-24-38(145)89(61(151)37(12-127)121-31(6)139)198-104-51(122-32(7)140)69(159)90(45(19-134)192-104)199-118-88(178)101(210-120-103(78(168)65(155)42(16-131)191-120)212-108-55(126-36(11)144)98(207-113-83(173)74(164)60(150)30(5)185-113)94(49(23-138)196-108)203-117-87(177)100(67(157)44(18-133)189-117)209-106-53(124-34(9)142)96(205-111-81(171)72(162)58(148)28(3)183-111)92(47(21-136)194-106)201-115-85(175)76(166)63(153)40(14-129)187-115)68(158)50(197-118)25-180-119-102(77(167)64(154)41(15-130)190-119)211-107-54(125-35(10)143)97(206-112-82(172)73(163)59(149)29(4)184-112)93(48(22-137)195-107)202-116-86(176)99(66(156)43(17-132)188-116)208-105-52(123-33(8)141)95(204-110-80(170)71(161)57(147)27(2)182-110)91(46(20-135)193-105)200-114-84(174)75(165)62(152)39(13-128)186-114/h26-30,37-120,127-138,145-178H,12-25H2,1-11H3,(H,121,139)(H,122,140)(H,123,141)(H,124,142)(H,125,143)(H,126,144)/t26-,27-,28-,29-,30-,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-,119-,120+/m0/s1
InChIKeySAAMJAFEZSEDOC-JWXJFVQCSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91847368 (CHEBI:147739) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G17652NIGlyTouCan
G17652NIGlyGen