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CHEBI:146820 - N-acetyl-α-neuraminyl-(2→6)-N-acetyl-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]2OC(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-1x_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-YIDOBNJDSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-D-galactosamine (CHEBI:146820) is a acetamides (CHEBI:22160) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-D-galactosamine (CHEBI:146820) is a amino disaccharide (CHEBI:22480) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-D-galactosamine (CHEBI:146820) is a monocarboxylic acid (CHEBI:25384) |
| N-acetyl-α-neuraminyl-(2→6)-N-acetyl-D-galactosamine (CHEBI:146820) is a neuraminic acids (CHEBI:25508) |
| Incoming Relation(s) |
| 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 Names |
|---|
| NeuAc(a2-6)GalNAc |
| 2-acetamido-6-O-(5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl)-2-deoxy-D-galactopyranose |
| Synonyms | Source |
|---|---|
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→6)-2-acetamido-2-deoxy-D-galacto-hexopyranose | IUPAC |
| (2R,4S,5R,6R)-5-acetamido-2-[[(2R,3R,4R,5R)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | IUPAC |
| α-Neu5Ac-(2→6)-GalpNAc | ChEBI |