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CHEBI:87550 - β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-GlcpNAc-(1→4)-[β-D-GlcpNAc-(1→2)]-α-D-Manp-(1→3)}-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-D-GlcpNAc
| Formula | C66H110N6O46 |
| Net Charge | 0 |
| Average Mass | 1723.602 |
| Monoisotopic Mass | 1722.64527 |
| SMILES | CC(=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](O)[C@H](O)[C@@H]3O[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](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](O)[C@H]3NC(C)=O)[C@@H]2O)[C@@H]1O |
| WURCS | WURCS=2.0/4,9,8/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5]/1-2-3-4-2-2-2-4-2/a4-b1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_d4-f1_h2-i1 |
| InChI | InChI=1S/C66H110N6O46/c1-16(81)67-31-46(96)51(27(12-78)103-58(31)101)112-63-36(72-21(6)86)47(97)52(28(13-79)109-63)114-64-50(100)55(116-66-57(118-62-35(71-20(5)85)45(95)40(90)25(10-76)107-62)49(99)53(29(14-80)110-66)113-59-32(68-17(2)82)42(92)37(87)22(7-73)104-59)54(115-60-33(69-18(3)83)43(93)38(88)23(8-74)105-60)30(111-64)15-102-65-56(48(98)41(91)26(11-77)108-65)117-61-34(70-19(4)84)44(94)39(89)24(9-75)106-61/h22-66,73-80,87-101H,7-15H2,1-6H3,(H,67,81)(H,68,82)(H,69,83)(H,70,84)(H,71,85)(H,72,86)/t22-,23-,24-,25-,26-,27-,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-/m1/s1 |
| InChIKey | AESHUMRNNWJDGU-IOVPLSQSSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-GlcpNAc-(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:87550) is a amino nonasaccharide (CHEBI:68818) |
| β-D-GlcpNAc-(1→2)-α-D-Manp-(1→6)-[β-D-GlcpNAc-(1→4)]-{β-D-GlcpNAc-(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:87550) is a glucosamine oligosaccharide (CHEBI:22485) |
| IUPAC Name |
|---|
| 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)]-α-D-mannopyranosyl-(1→3)]-[2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-b-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranose |
| Synonyms | Source |
|---|---|
| β-D-GlcNAc-(1→2)-α-D-Man-(1→6)-[β-D-GlcNAc-(1→4)]-{β-D-GlcNAc-(1→4)-[β-D-GlcNAc-(1→2)]-α-D-Man-(1→3)}-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc | ChEBI |
| GlcNAcb1-2Mana1-6(GlcNAcb1-4)(GlcNAcb1-4(GlcNAcb1-2)Mana1- 3)Manb1-4GlcNAcb1-4GlcNAc | ChEBI |
| N-acetyl-β-D-glucosaminyl-(1→2)-α-D-mannosyl-(1→6)-[N-acetyl-β-D-glucosaminyl-(1→4)]-{N-acetyl-β-D-glucosaminyl-(1→4)-[N-acetyl-β-D-glucosaminyl-(1→2)]-α-D-mannosyl-(1→3)}-β-D-mannosyl-(1→4)-N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-D-glucosamine | ChEBI |
| O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)]-α-D-mannopyranosyl-(1→3)]-O-[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-O-β-D-mannopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-D-glucopyranose | ChEBI |
| Citations |
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