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CHEBI:148451 - CID 91858690

ChEBI IDCHEBI:148451
ChEBI NameCID 91858690
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[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]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]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][a2112h-1b_1-5][a1221m-1a_1-5]/1-2-3-4-2-5-2-2-4-2-5-2-5-6/a4-b1_a6-n1_b4-c1_c3-d1_c4-h1_c6-i1_d2-e1_d4-g1_e4-f1_i2-j1_i6-l1_j4-k1_l4-m1
InChIInChI=1S/C98H163N7O70/c1-22-50(123)64(137)69(142)92(152-22)150-20-41-80(59(132)43(85(148)153-41)99-23(2)116)167-89-47(103-27(6)120)61(134)78(38(17-114)160-89)171-96-74(147)82(173-98-84(73(146)79(39(18-115)163-98)166-87-44(100-24(3)117)57(130)51(124)30(9-106)154-87)175-91-49(105-29(8)122)63(136)77(37(16-113)162-91)170-95-72(145)67(140)55(128)34(13-110)158-95)81(172-88-45(101-25(4)118)58(131)52(125)31(10-107)155-88)42(165-96)21-151-97-83(174-90-48(104-28(7)121)62(135)76(36(15-112)161-90)169-94-71(144)66(139)54(127)33(12-109)157-94)68(141)56(129)40(164-97)19-149-86-46(102-26(5)119)60(133)75(35(14-111)159-86)168-93-70(143)65(138)53(126)32(11-108)156-93/h22,30-98,106-115,123-148H,9-21H2,1-8H3,(H,99,116)(H,100,117)(H,101,118)(H,102,119)(H,103,120)(H,104,121)(H,105,122)/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
InChIKeyBFSRWAZCACRKSI-VSLLQGOWSA-N
ChEBI Ontology
Outgoing Relation(s)
CID 91858690 (CHEBI:148451) is a polysaccharide (CHEBI:18154)
Synonyms  Source
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)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranoseSUBMITTER
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)[Fuc(a1-6)]GlcNAcSUBMITTER
Manual XrefsDatabases
G28449NPGlyTouCan
G28449NPGlyGen