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CHEBI:148399 - CID 91854852

ChEBI IDCHEBI:148399
ChEBI NameCID 91854852
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O84
Net Charge0
Average Mass2986.676
Monoisotopic Mass2985.03723
SMILESCC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO[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]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O[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]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO[C@]7(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@H]1O
WURCSWURCS=2.0/5,15,14/[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*NCCO/3=O]/1-1-2-3-1-4-5-1-4-5-3-1-4-1-4/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-n1_l4-m1_n4-o1
InChIInChI=1S/C112H184N8O84/c1-26(134)113-53-67(154)84(38(13-125)180-96(53)171)193-98-55(115-28(3)136)70(157)89(43(18-130)184-98)199-106-83(170)93(66(153)46(189-106)23-177-107-94(201-100-57(117-30(5)138)71(158)86(41(16-128)186-100)196-103-79(166)74(161)62(149)37(12-124)182-103)77(164)65(152)45(192-107)22-176-97-54(114-27(2)135)68(155)85(39(14-126)183-97)195-102-78(165)73(160)61(148)36(11-123)181-102)200-108-95(202-101-58(118-31(6)139)72(159)88(42(17-129)187-101)198-105-81(168)76(163)64(151)48(191-105)25-179-112(110(174)175)8-33(141)52(120-50(145)21-133)92(204-112)60(147)35(143)10-122)82(169)90(44(19-131)188-108)194-99-56(116-29(4)137)69(156)87(40(15-127)185-99)197-104-80(167)75(162)63(150)47(190-104)24-178-111(109(172)173)7-32(140)51(119-49(144)20-132)91(203-111)59(146)34(142)9-121/h32-48,51-108,121-133,140-143,146-171H,7-25H2,1-6H3,(H,113,134)(H,114,135)(H,115,136)(H,116,137)(H,117,138)(H,118,139)(H,119,144)(H,120,145)(H,172,173)(H,174,175)/t32-,33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,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+,111+,112+/m0/s1
InChIKeyIWJJEHZYCYGDNH-BXHNWXOWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91854852 (CHEBI:148399) is a polysaccharide (CHEBI:18154)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G22079SEGlyTouCan