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CHEBI:147163 - Neu5Ac-(α-2→3)-D-GalpNAc
| Formula | C19H32N2O14 |
| Net Charge | 0 |
| Average Mass | 512.465 |
| Monoisotopic Mass | 512.18535 |
| SMILES | CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)OC(O)[C@@H]2NC(C)=O)(C(=O)O)C[C@@H]1O |
| 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/a3-b2 |
| InChI | InChI=1S/C19H32N2O14/c1-6(24)20-11-8(26)3-19(18(31)32,34-15(11)13(28)9(27)4-22)35-16-12(21-7(2)25)17(30)33-10(5-23)14(16)29/h8-17,22-23,26-30H,3-5H2,1-2H3,(H,20,24)(H,21,25)(H,31,32)/t8-,9+,10+,11+,12+,13+,14-,15+,16+,17?,19-/m0/s1 |
| InChIKey | VTLBCLWKEJHOEE-LMNBVLNHSA-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) |
| Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a acetamides (CHEBI:22160) |
| Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a amino disaccharide (CHEBI:22480) |
| Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a monocarboxylic acid (CHEBI:25384) |
| Neu5Ac-(α-2→3)-D-GalpNAc (CHEBI:147163) is a neuraminic acids (CHEBI:25508) |
| IUPAC Names |
|---|
| NeuAc(a2-3)GalNAc |
| 2-acetamido-3-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→3)-2-acetamido-2-deoxy-D-galacto-hexopyranose | IUPAC |
| (2S,4S,5R,6R)-5-acetamido-2-[(3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | IUPAC |