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CHEBI:45660 - N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-α-D-glucose
| Formula | C23H39NO19 |
| Net Charge | 0 |
| Average Mass | 633.553 |
| Monoisotopic Mass | 633.21163 |
| 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](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-1a_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2 |
| InChI | InChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20-,21-,23-/m0/s1 |
| InChIKey | CILYIEBUXJIHCO-LPTWSRJFSA-N |
| Roles Classification |
|---|
| Chemical Roles: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| Biological Role: | human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-α-D-glucose (CHEBI:45660) is a N-acetyl-α-neuraminyl-(2→3)-β-D-galactosyl-(1→4)-D-glucose (CHEBI:151472) |
| IUPAC Name |
|---|
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→3)-β-D-galactopyranosyl-(1→4)-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranosylonic acid-(2→3)-β-D-galacto-hexopyranosyl-(1→4)-α-D-gluco-hexopyranose | IUPAC |
| NeuAc(a2-3)Gal(b1-4)a-Glc | IUPAC |