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CHEBI:152878 - CID 91857303

Default Structure
ChEBI IDCHEBI:152878
ChEBI NameCID 91857303
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC104H171N7O79S
Net Charge0
Average Mass2815.549
Monoisotopic Mass2813.92992
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(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(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)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](OS(=O)(=O)O)[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@]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](O)[C@H](O)[C@H]2O)[C@@H]1O
WURCSWURCS=2.0/8,14,13/[a2122h-1x_1-5_2*NCC/3=O][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][a2112h-1b_1-5_3*OSO/3=O/3=O][a1221m-1a_1-5]/1-2-3-4-2-5-6-2-7-4-2-5-6-8/a4-b1_a6-n1_b4-c1_c3-d1_c6-j1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_j2-k1_k4-l1_l3-m2
InChIInChI=1S/C104H171N7O79S/c1-24-54(133)67(146)70(149)94(166-24)163-22-46-81(62(141)49(89(155)167-46)107-27(4)124)179-91-51(109-29(6)126)64(143)77(40(17-118)172-91)181-96-73(152)84(61(140)44(176-96)21-164-99-87(69(148)57(136)36(13-114)170-99)185-92-52(110-30(7)127)66(145)78(42(19-120)173-92)182-97-74(153)85(59(138)37(14-115)168-97)189-104(102(158)159)10-33(130)48(106-26(3)123)83(188-104)56(135)35(132)12-113)184-100-88(72(151)80(43(20-121)175-100)178-90-50(108-28(5)125)63(142)79(41(18-119)171-90)183-98-75(154)86(190-191(160,161)162)60(139)38(15-116)169-98)186-93-53(111-31(8)128)65(144)76(39(16-117)174-93)180-95-71(150)68(147)58(137)45(177-95)23-165-103(101(156)157)9-32(129)47(105-25(2)122)82(187-103)55(134)34(131)11-112/h24,32-100,112-121,129-155H,9-23H2,1-8H3,(H,105,122)(H,106,123)(H,107,124)(H,108,125)(H,109,126)(H,110,127)(H,111,128)(H,156,157)(H,158,159)(H,160,161,162)/t24-,32-,33-,34+,35+,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+,103+,104-/m0/s1
InChIKeyFDFNWMRSTWYDPD-CZBJMKMZSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91857303 (CHEBI:152878) 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->6)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[3-O-sulfo-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-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)-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-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[Gal3S(b1-4)GlcNAc(b1-4)]Man(a1-3)[NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G66942CJGlyGen
G66942CJGlyTouCan