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CHEBI:154991 - CID 91846539

Default Structure
ChEBI IDCHEBI:154991
ChEBI NameCID 91846539
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC98H163N7O70
Net Charge0
Average Mass2559.361
Monoisotopic Mass2557.94102
SMILESCC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[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]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[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@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]4O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O
WURCSWURCS=2.0/6,14,13/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-3-4-2-5-6-2-2-4-2-6-2-6/a4-b1_b4-c1_c3-d1_c4-i1_c6-j1_d2-e1_d4-h1_e3-f1_e4-g1_j2-k1_j6-m1_k4-l1_m4-n1
InChIInChI=1S/C98H163N7O70/c1-22-50(124)63(137)68(142)92(151-22)172-81-49(105-29(8)123)91(161-40(19-116)79(81)171-95-71(145)66(140)55(129)34(13-110)157-95)175-84-72(146)78(166-87-44(100-24(3)118)57(131)51(125)30(9-106)153-87)39(18-115)162-98(84)173-82-73(147)96(169-77-38(17-114)159-89(47(61(77)135)103-27(6)121)165-74-35(14-111)152-85(148)43(59(74)133)99-23(2)117)164-42(80(82)170-88-45(101-25(4)119)58(132)52(126)31(10-107)154-88)21-150-97-83(174-90-48(104-28(7)122)62(136)76(37(16-113)160-90)168-94-70(144)65(139)54(128)33(12-109)156-94)67(141)56(130)41(163-97)20-149-86-46(102-26(5)120)60(134)75(36(15-112)158-86)167-93-69(143)64(138)53(127)32(11-108)155-93/h22,30-98,106-116,124-148H,9-21H2,1-8H3,(H,99,117)(H,100,118)(H,101,119)(H,102,120)(H,103,121)(H,104,122)(H,105,123)/t22-,30+,31+,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+/m0/s1
InChIKeyFPICBCJTXMRCJY-UKUSPRFLSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91846539 (CHEBI:154991) is a carbohydrates and carbohydrate derivatives (CHEBI:78616)
Synonyms  Source
6-deoxy-alpha-L-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->4)]-alpha-D-manno-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-6)]Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)GlcNAcSUBMITTER
Manual XrefsDatabases
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