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CHEBI:152954 - CID 91849635

Default Structure
ChEBI IDCHEBI:152954
ChEBI NameCID 91849635
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O84
Net Charge0
Average Mass3026.741
Monoisotopic Mass3025.06853
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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[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@]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]4NC(C)=O)[C@@H](O)[C@H](O[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@]7(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O7)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H]1O
WURCSWURCS=2.0/5,15,14/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a1221m-1a_1-5]/1-1-2-2-1-3-4-2-1-3-4-1-3-4-5/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d6-e1_e4-f1_f3-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m3-n2
InChIInChI=1S/C115H188N8O84/c1-27-61(148)76(163)79(166)103(183-27)181-26-52-89(71(158)56(98(172)184-52)119-31(5)137)195-101-59(122-34(8)140)74(161)87(47(21-132)190-101)196-105-81(168)93(200-104-80(167)77(164)65(152)49(192-104)23-179-99-57(120-32(6)138)72(159)85(45(19-130)188-99)197-106-82(169)94(67(154)42(16-127)185-106)205-113(110(173)174)10-36(142)53(116-28(2)134)90(202-113)62(149)39(145)13-124)70(157)51(193-105)25-182-109-97(201-102-60(123-35(9)141)75(162)88(48(22-133)191-102)199-108-84(171)96(69(156)44(18-129)187-108)207-115(112(177)178)12-38(144)55(118-30(4)136)92(204-115)64(151)41(147)15-126)78(165)66(153)50(194-109)24-180-100-58(121-33(7)139)73(160)86(46(20-131)189-100)198-107-83(170)95(68(155)43(17-128)186-107)206-114(111(175)176)11-37(143)54(117-29(3)135)91(203-114)63(150)40(146)14-125/h27,36-109,124-133,142-172H,10-26H2,1-9H3,(H,116,134)(H,117,135)(H,118,136)(H,119,137)(H,120,138)(H,121,139)(H,122,140)(H,123,141)(H,173,174)(H,175,176)(H,177,178)/t27-,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-,108-,109-,113-,114-,115-/m0/s1
InChIKeyFOYSHQGNVPEYLU-STWSPVSESA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91849635 (CHEBI:152954) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
5-acetamido-3,5-dideoxy-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->6)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-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->2)-[5-acetamido-3,5-dideoxy-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->6)]-alpha-D-manno-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(a1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G67371LFGlyGen
G67371LFGlyTouCan