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CHEBI:71612 - α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc
| Formula | C25H42N2O19 |
| Net Charge | 0 |
| Average Mass | 674.606 |
| Monoisotopic Mass | 674.23818 |
| 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)O[C@@H]3CO)[C@@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2 |
| InChI | InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1 |
| InChIKey | GVXWGQLSDZJHFY-SDJLXEQRSA-N |
| Roles Classification |
|---|
| Biological Role: | epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71612) has role epitope (CHEBI:53000) |
| α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-β-D-GlcpNAc (CHEBI:71612) is a α-Neup5Ac-(2→3)-β-D-Galp-(1→4)-D-GlcpNAc (CHEBI:52472) |
| IUPAC Name |
|---|
| 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-glucopyranose |
| Synonyms | Source |
|---|---|
| α-Neu5Ac-(2→3)-β-D-Gal-(1→4)-β-D-GlcNAc | ChEBI |
| Neu5Acα2-3Galβ1-4GlcNAcβ | IUPAC |
| N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-N-acetyl-β-D-glucosamine | IUPAC |
| Neu5Aca2-3Galb1-4GlcNAcb | ChEBI |
| Neu5Ac (α1-3)Gal (β1-4)GlcNac (β) | ChEBI |
| O-5-(acetylamino)-3,5-dideoxy-D-glycero-α-D-galacto-2-nonulopyranonosyl-(2→3)-O-β-D-galactopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranose | ChEBI |
| Citations |
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