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CHEBI:154090 - CID 91858288

ChEBI IDCHEBI:154090
ChEBI NameCID 91858288
Stars
SubmitterGareth Owen
DownloadsMolfile
FormulaC96H160N6O69
Net Charge0
Average Mass2502.309
Monoisotopic Mass2500.91956
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[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO[C@H]3O[C@H](CO)[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]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]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]/1-2-3-4-2-5-6-2-6-2-4-2-6-5/a4-b1_a6-n1_b4-c1_c3-d1_c4-j1_c6-k1_d2-e1_d4-h1_e3-f1_e4-g1_h4-i1_k2-l1_l4-m1
InChIInChI=1S/C96H160N6O69/c1-21-47(119)59(131)65(137)89(147-21)145-19-39-76(55(127)41(83(144)149-39)97-23(3)113)162-86-44(100-26(6)116)57(129)74(36(16-110)156-86)165-94-71(143)80(78(166-84-42(98-24(4)114)54(126)49(121)29(9-103)150-84)40(160-94)20-146-95-81(64(136)53(125)33(13-107)154-95)170-87-45(101-27(7)117)58(130)73(35(15-109)157-87)164-92-68(140)62(134)51(123)31(11-105)152-92)169-96-82(70(142)75(37(17-111)159-96)161-85-43(99-25(5)115)56(128)72(34(14-108)155-85)163-91-67(139)61(133)50(122)30(10-104)151-91)171-88-46(102-28(8)118)79(168-90-66(138)60(132)48(120)22(2)148-90)77(38(18-112)158-88)167-93-69(141)63(135)52(124)32(12-106)153-93/h21-22,29-96,103-112,119-144H,9-20H2,1-8H3,(H,97,113)(H,98,114)(H,99,115)(H,100,116)(H,101,117)(H,102,118)/t21-,22-,29+,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+/m0/s1
InChIKeyKWDKFDWLYKDCHM-NIFBTIGBSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858288 (CHEBI:154090) is a polysaccharide (CHEBI:18154)
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)-[beta-D-galacto-hexopyranosyl-(1->4)-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)-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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-2)[Gal(b1-4)GlcNAc(b1-4)]Man(a1-3)[Gal(b1-4)GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G78768UQGlyGen
G78768UQGlyTouCan