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CHEBI:61818 - N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine
| Formula | C19H32N2O14 |
| Net Charge | 0 |
| Average Mass | 512.465 |
| Monoisotopic Mass | 512.18535 |
| SMILES | [H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](OC[C@H]2O[C@H](O)[C@H](NC(C)=O)[C@@H](O)[C@H]2O)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O |
| WURCS | WURCS=2.0/2,2,1/[a2112h-1a_1-5_2*NCC/3=O][Aad21122h-2a_2-6_5*NCC/3=O]/1-2/a6-b2 |
| InChI | InChI=1S/C19H32N2O14/c1-6(23)20-11-8(25)3-19(18(31)32,35-16(11)13(27)9(26)4-22)33-5-10-14(28)15(29)12(17(30)34-10)21-7(2)24/h8-17,22,25-30H,3-5H2,1-2H3,(H,20,23)(H,21,24)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17-,19+/m0/s1 |
| InChIKey | CZOGCRVBCLRHQJ-WHWAGLCYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| 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) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine (CHEBI:61818) has functional parent N-acetyl-α-D-galactosamine (CHEBI:40356) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine (CHEBI:61818) has functional parent N-acetyl-α-neuraminic acid (CHEBI:49026) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine (CHEBI:61818) has role epitope (CHEBI:53000) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-α-D-galactosamine (CHEBI:61818) is a N-acetyl-α-neuraminyl-(2→6)-N-acetyl-D-galactosamine (CHEBI:146820) |
| IUPAC Name |
|---|
| (5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-nonulopyranosylonic acid)-(2→6)-2-acetamido-2-deoxy-α-D-galactopyranose |
| Synonyms | Source |
|---|---|
| NeuAc(α→6)GalNAc(α-OH) | ChEBI |
| sialosyl-Tn saccharide | ChEBI |
| 2-(acetylamino)-6-O-{(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-β-L-threo-hex-2-ulopyranonosyl}-2-deoxy-α-D-galactopyranose | IUPAC |
| sialosyl-Tn antigen saccharide | ChEBI |
| Neu5Acα2-6GalNAcα | ChEBI |
| Neu5Aca2-6GalNAca | ChEBI |
| Citations |
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