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CHEBI:155331 - CID 91858134

Default Structure
ChEBI IDCHEBI:155331
ChEBI NameCID 91858134
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC115H188N8O85
Net Charge0
Average Mass3042.740
Monoisotopic Mass3041.06344
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(=O)CO)[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](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]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=2.0/7,15,14/[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]/1-1-2-3-1-4-5-3-1-4-5-1-4-6-7/a4-b1_a6-o1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f3-g2_h2-i1_h6-l1_i4-j1_j3-k2_l4-m1_m3-n2
InChIInChI=1S/C115H188N8O85/c1-27-61(150)76(165)79(168)103(183-27)181-26-51-88(71(160)56(98(173)184-51)118-30(4)138)195-100-58(120-32(6)140)73(162)85(46(20-132)190-100)196-104-80(169)92(200-109-97(77(166)65(154)41(15-127)188-109)202-102-60(122-34(8)142)75(164)87(48(22-134)192-102)199-107-83(172)94(68(157)44(18-130)187-107)207-114(111(176)177)10-36(144)54(117-29(3)137)90(204-114)63(152)39(147)13-125)70(159)50(193-104)25-182-108-96(201-101-59(121-33(7)141)74(163)86(47(21-133)191-101)198-106-82(171)93(67(156)43(17-129)186-106)206-113(110(174)175)9-35(143)53(116-28(2)136)89(203-113)62(151)38(146)12-124)78(167)66(155)49(194-108)24-180-99-57(119-31(5)139)72(161)84(45(19-131)189-99)197-105-81(170)95(69(158)42(16-128)185-105)208-115(112(178)179)11-37(145)55(123-52(149)23-135)91(205-115)64(153)40(148)14-126/h27,35-51,53-109,124-135,143-148,150-173H,9-26H2,1-8H3,(H,116,136)(H,117,137)(H,118,138)(H,119,139)(H,120,140)(H,121,141)(H,122,142)(H,123,149)(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
InChIKeyITOZWWHPIGUXSZ-RZFNWLFSSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858134 (CHEBI:155331) 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)-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)-[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->6)]-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)Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)[NeuGc(a2-3)Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G97996SPGlyGen
G97996SPGlyTouCan