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CHEBI:150192 - CID 91849312

Default Structure
ChEBI IDCHEBI:150192
ChEBI NameCID 91849312
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O85
Net Charge0
Average Mass3042.740
Monoisotopic Mass3041.06344
SMILESCC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]5CO[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)O[C@@H]4CO)O[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@]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]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)O[C@H](CO)[C@@H](O[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]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/7,15,14/[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*NCC/3=O][Aad21122h-2a_2-6_5*NCCO/3=O][a1221m-1a_1-5]/1-1-2-3-1-4-5-1-4-5-3-1-4-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f3-g2_h4-i1_i3-j2_k2-l1_l4-m1_m3-n2
InChIInChI=1S/C115H188N8O85/c1-27-61(151)75(165)77(167)103(182-27)180-26-51-88(70(160)56(98(173)183-51)118-30(4)139)195-100-58(120-32(6)141)72(162)83(45(19-131)189-100)196-104-79(169)92(69(159)50(193-104)25-181-108-96(76(166)65(155)41(15-127)187-108)201-101-59(121-33(7)142)73(163)85(47(21-133)190-101)198-107-82(172)95(68(158)44(18-130)186-107)208-115(112(178)179)11-37(146)55(123-52(150)24-136)91(205-115)64(154)40(149)14-126)200-109-97(202-102-60(122-34(8)143)74(164)86(48(22-134)191-102)199-106-81(171)94(67(157)43(17-129)185-106)207-114(111(176)177)10-36(145)54(117-29(3)138)90(204-114)63(153)39(148)13-125)78(168)87(49(23-135)192-109)194-99-57(119-31(5)140)71(161)84(46(20-132)188-99)197-105-80(170)93(66(156)42(16-128)184-105)206-113(110(174)175)9-35(144)53(116-28(2)137)89(203-113)62(152)38(147)12-124/h27,35-51,53-109,124-136,144-149,151-173H,9-26H2,1-8H3,(H,116,137)(H,117,138)(H,118,139)(H,119,140)(H,120,141)(H,121,142)(H,122,143)(H,123,150)(H,174,175)(H,176,177)(H,178,179)/t27-,35-,36-,37-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,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
InChIKeyUXMOGGLAJAZYPI-CXESDXBKSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91849312 (CHEBI:150192) 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->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->4)]-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->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-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(b1-2)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G34931KKGlyTouCan
G34931KKGlyGen