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CHEBI:146228 - NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc
| Formula | C90H148N6O66 |
| Net Charge | 0 |
| Average Mass | 2370.150 |
| Monoisotopic Mass | 2368.84091 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](O[C@@H]4[C@@H](O[C@@H]5[C@H](O)[C@H](O[C@H]6[C@H](O)[C@@H](CO)O[C@@H](O[C@H]7[C@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]7CO)[C@@H]6NC(C)=O)O[C@H](CO[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O[C@]8(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O8)[C@H]7O)[C@H](O[C@@H]7O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]7O)[C@H]6NC(C)=O)[C@H]5O)O[C@H](CO)[C@@H](O)[C@@H]4O)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/6,12,11/[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]/1-1-2-3-1-4-5-3-1-6-4-5/a4-b1_b4-c1_c3-d1_c6-h1_d2-e1_e4-f1_f6-g2_h2-i1_i3-j1_i4-k1_k3-l2 |
| InChI | InChI=1S/C90H148N6O66/c1-21-47(117)58(128)61(131)81(141-21)155-71-46(96-27(7)112)80(149-39(19-106)67(71)153-84-64(134)74(54(124)36(16-103)145-84)162-90(88(138)139)9-29(114)42(92-23(3)108)70(160-90)49(119)31(116)11-98)157-75-59(129)50(120)32(12-99)146-85(75)140-20-40-55(125)72(62(132)82(150-40)154-68-45(95-26(6)111)79(143-34(14-101)52(68)122)151-65-37(17-104)142-77(135)43(56(65)126)93-24(4)109)156-86-76(60(130)51(121)33(13-100)147-86)158-78-44(94-25(5)110)57(127)66(38(18-105)148-78)152-83-63(133)73(53(123)35(15-102)144-83)161-89(87(136)137)8-28(113)41(91-22(2)107)69(159-89)48(118)30(115)10-97/h21,28-86,97-106,113-135H,8-20H2,1-7H3,(H,91,107)(H,92,108)(H,93,109)(H,94,110)(H,95,111)(H,96,112)(H,136,137)(H,138,139)/t21-,28-,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+,89-,90-/m0/s1 |
| InChIKey | TXQKBZVUGNVXIN-SXGBQNIBSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc (CHEBI:146228) is a N-acetylneuraminic acids (CHEBI:21622) |
| NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc (CHEBI:146228) is a glucosamine oligosaccharide (CHEBI:22485) |
| NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc (CHEBI:146228) is a polysaccharide (CHEBI:18154) |
| IUPAC Names |
|---|
| NeuAc(a2-3)Gal(b1-4)[Fuc(a1-3)]GlcNAc(b1-2)Man(a1-6)[NeuAc(a2-6)Gal(b1-4)GlcNAc(b1-2)Man(a1-3)]Man(b1-4)GlcNAc(b1-4)GlcNAc |
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[6-deoxy-α-L-galactopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-[α-L-fucopyranosyl-(1→3)]-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→3)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonym | Source |
|---|---|
| α-Neup5Ac-(2→3)-α-D-Galp-(1→4)-[α-L-Fucp-(1→3)]-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[α-Neup5Ac-(2→6)-β-D-Galp-(1→4)-β-D-GlcpNAc-(1→2)-α-D-Manp-(1→3)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc | ChEBI |