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CHEBI:157319 - CID 146017147

Default Structure
ChEBI IDCHEBI:157319
ChEBI NameCID 146017147
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](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]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H]7O)[C@H](O)[C@H]6NC(C)=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](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]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(=O)CO)[C@H]([C@H](O)[C@H](O)CO)O8)[C@H]7O)[C@H](O)[C@H]6NC(C)=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]/1-1-2-3-1-4-1-4-5-3-1-4-1-4-5/a4-b1_b4-c1_c3-d1_c6-j1_d2-e1_e4-f1_f3-g1_g4-h1_h3-i2_j2-k1_k4-l1_l3-m1_m4-n1_n3-o2
InChIInChI=1S/C112H184N8O84/c1-26(137)113-53-68(158)81(42(17-129)177-96(53)171)190-97-54(114-27(2)138)69(159)84(43(18-130)184-97)193-104-78(168)91(198-108-95(75(165)62(152)37(12-124)183-108)200-101-58(118-31(6)142)73(163)83(47(22-134)188-101)192-103-77(167)90(64(154)39(14-126)179-103)197-99-56(116-29(4)140)71(161)86(45(20-132)186-99)195-106-80(170)93(66(156)41(16-128)181-106)204-112(110(174)175)8-33(144)52(120-50(148)24-136)88(202-112)60(150)35(146)10-122)67(157)48(189-104)25-176-107-94(74(164)61(151)36(11-123)182-107)199-100-57(117-30(5)141)72(162)82(46(21-133)187-100)191-102-76(166)89(63(153)38(13-125)178-102)196-98-55(115-28(3)139)70(160)85(44(19-131)185-98)194-105-79(169)92(65(155)40(15-127)180-105)203-111(109(172)173)7-32(143)51(119-49(147)23-135)87(201-111)59(149)34(145)9-121/h32-48,51-108,121-136,143-146,149-171H,7-25H2,1-6H3,(H,113,137)(H,114,138)(H,115,139)(H,116,140)(H,117,141)(H,118,142)(H,119,147)(H,120,148)(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
InChIKeyJZVPYWLHXQDRNL-IFMVKPBVSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017147 (CHEBI:157319) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-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(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G34108KWGlyTouCan