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CHEBI:148504 - CID 91855686

ChEBI IDCHEBI:148504
ChEBI NameCID 91855686
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC113H187N7O84
Net Charge0
Average Mass2987.704
Monoisotopic Mass2986.05763
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@@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](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4O)[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=2.0/8,15,14/[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][a2122h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-6-7-8-5-6-4-2-5-6/a4-b1_b4-c1_c3-d1_c6-l1_d2-e1_d4-h1_e4-f1_f6-g2_h3-i1_h4-j1_j3-k2_l2-m1_m4-n1_n3-o2
InChIInChI=1S/C113H187N7O84/c1-27-59(148)72(161)75(164)100(179-27)197-94-81(170)105(186-50(24-133)87(94)195-104-80(169)93(67(156)45(19-128)181-104)204-113(110(175)176)11-38(143)55(117-31(5)137)90(202-113)63(152)41(146)15-124)194-86-49(23-132)187-107(96(77(86)166)199-99-58(120-34(8)140)70(159)83(46(20-129)185-99)191-101-76(165)73(162)65(154)52(189-101)26-178-111(108(171)172)9-36(141)53(115-29(3)135)88(200-111)61(150)39(144)13-122)196-91-68(157)51(188-102(78(91)167)192-84-47(21-130)183-97(56(69(84)158)118-32(6)138)190-82(42(147)16-125)60(149)35(12-121)114-28(2)134)25-177-106-95(74(163)64(153)43(17-126)182-106)198-98-57(119-33(7)139)71(160)85(48(22-131)184-98)193-103-79(168)92(66(155)44(18-127)180-103)203-112(109(173)174)10-37(142)54(116-30(4)136)89(201-112)62(151)40(145)14-123/h27,35-107,121-133,141-170H,9-26H2,1-8H3,(H,114,134)(H,115,135)(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,171,172)(H,173,174)(H,175,176)/t27-,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+,111+,112-,113-/m0/s1
InChIKeyXYZIIOOJPZTJFL-JCIJPGPQSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91855686 (CHEBI:148504) is a polysaccharide (CHEBI:18154)
Manual XrefsDatabases
G28707FTGlyTouCan
G28707FTGlyGen