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CHEBI:155383 - CID 91849606

Default Structure
ChEBI IDCHEBI:155383
ChEBI NameCID 91849606
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC112H184N8O82
Net Charge0
Average Mass2954.678
Monoisotopic Mass2953.04740
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)O[C@@H]4CO)O[C@H](CO[C@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O)[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@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[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@]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](O)[C@H](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=2.0/6,15,14/[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][a2112h-1a_1-5]/1-1-2-3-1-4-5-1-4-5-3-1-4-6-1/a4-b1_b4-c1_c3-d1_c6-k1_d2-e1_d4-h1_e4-f1_f6-g2_h4-i1_i6-j2_k2-l1_k6-o1_l4-m1_m3-n1
InChIInChI=1S/C112H184N8O82/c1-26(132)113-51-34(140)9-111(109(170)171,201-90(51)59(144)36(142)11-121)176-24-49-63(148)75(160)79(164)103(188-49)193-85-42(17-127)183-99(56(70(85)155)118-31(6)137)192-89-46(21-131)186-108(95(81(89)166)200-101-58(120-33(8)139)72(157)86(43(18-128)185-101)194-104-80(165)76(161)64(149)50(189-104)25-177-112(110(172)173)10-35(141)52(114-27(2)133)91(202-112)60(145)37(143)12-122)198-93-67(152)48(187-106(83(93)168)196-88-44(19-129)182-98(55(71(88)156)117-30(5)136)191-84-41(16-126)178-96(169)53(69(84)154)115-28(3)134)23-175-107-94(77(162)65(150)47(190-107)22-174-97-54(116-29(4)135)68(153)61(146)38(13-123)179-97)199-100-57(119-32(7)138)73(158)87(45(20-130)184-100)195-105-82(167)92(66(151)40(15-125)181-105)197-102-78(163)74(159)62(147)39(14-124)180-102/h34-108,121-131,140-169H,9-25H2,1-8H3,(H,113,132)(H,114,133)(H,115,134)(H,116,135)(H,117,136)(H,118,137)(H,119,138)(H,120,139)(H,170,171)(H,172,173)/t34-,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-,101-,102+,103-,104-,105-,106-,107-,108+,111+,112+/m0/s1
InChIKeyGQJFQPIFHWYVMR-VIGIJBGMSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91849606 (CHEBI:155383) 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)-[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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[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)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranoseSUBMITTER
NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(a1-3)Gal(b1-4)GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-6)]Man(b1-4)GlcNAc(b1-4)b-GlcNAcSUBMITTER
Manual XrefsDatabases
G92527BYGlyGen
G92527BYGlyTouCan