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CHEBI:157438 - CID 146017328

Default Structure
ChEBI IDCHEBI:157438
ChEBI NameCID 146017328
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC101H165N7O74
Net Charge0
Average Mass2661.406
Monoisotopic Mass2659.93633
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@]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](O)[C@H](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@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)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)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=2.0/6,13,12/[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][a1221m-1a_1-5]/1-1-2-3-1-4-5-5-3-1-4-5-6/a4-b1_a6-m1_b4-c1_c3-d1_c6-i1_d2-e1_e4-f1_f3-g2_g8-h2_i2-j1_j4-k1_k6-l2
InChIInChI=1S/C101H165N7O74/c1-24-54(130)67(143)71(147)90(161-24)158-22-46-78(63(139)50(86(151)162-46)105-28(5)121)171-87-51(106-29(6)122)64(140)76(42(19-116)166-87)173-92-73(149)82(62(138)44(169-92)21-159-94-84(69(145)57(133)37(14-111)164-94)176-88-52(107-30(7)123)65(141)75(41(18-115)167-88)172-91-72(148)68(144)59(135)45(170-91)23-160-99(96(152)153)9-32(125)47(102-25(2)118)79(179-99)55(131)35(128)12-109)175-95-85(70(146)58(134)38(15-112)165-95)177-89-53(108-31(8)124)66(142)77(43(20-117)168-89)174-93-74(150)83(60(136)39(16-113)163-93)182-101(98(156)157)11-34(127)49(104-27(4)120)81(181-101)61(137)40(17-114)178-100(97(154)155)10-33(126)48(103-26(3)119)80(180-100)56(132)36(129)13-110/h24,32-95,109-117,125-151H,9-23H2,1-8H3,(H,102,118)(H,103,119)(H,104,120)(H,105,121)(H,106,122)(H,107,123)(H,108,124)(H,152,153)(H,154,155)(H,156,157)/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+,99+,100+,101-/m0/s1
InChIKeyXYFKBKCMPCQJTC-CQTGZDHHSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 146017328 (CHEBI:157438) 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->8)-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->6)-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(a2-8)NeuAc(a2-3)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]b-GlcNAcSUBMITTER
Manual XrefsDatabases
G87293ARGlyTouCan
G87293ARGlyGen