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CHEBI:149247 - α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-α-D-Glcp
| Formula | C20H35NO16 |
| Net Charge | 0 |
| Average Mass | 545.491 |
| Monoisotopic Mass | 545.19558 |
| SMILES | CC(=O)N[C@H]1[C@@H](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)O[C@H](CO)[C@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1a_1-5][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1 |
| InChI | InChI=1S/C20H35NO16/c1-5(25)21-9-12(28)10(26)6(2-22)34-19(9)37-17-11(27)7(3-23)35-20(15(17)31)36-16-8(4-24)33-18(32)14(30)13(16)29/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11+,12-,13-,14-,15-,16-,17+,18+,19-,20+/m1/s1 |
| InChIKey | CRTJRHPGCOAOQC-AZLNHPTESA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-α-D-Glcp (CHEBI:149247) has functional parent α-D-GalpNAc-(1→3)-β-D-Galp (CHEBI:62335) |
| α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-α-D-Glcp (CHEBI:149247) has functional parent α-lactose (CHEBI:36219) |
| α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-α-D-Glcp (CHEBI:149247) is a acetamides (CHEBI:22160) |
| α-D-GalpNAc-(1→3)-β-D-Galp-(1→4)-α-D-Glcp (CHEBI:149247) is a amino trisaccharide (CHEBI:59266) |
| IUPAC Names |
|---|
| GalNAc(a1-3)Gal(b1-4)a-Glc |
| 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-α-D-gluco-hexopyranose | IUPAC |
| N-[(2R,3R,4R,5R,6R)-2-[(2R,3S,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |