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CHEBI:148176 - α-D-Galp-(1→4)-β-D-Galp-(1→4)-α-D-GlcpNAc
| 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](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](CO)O[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1a_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3/a4-b1_b4-c1 |
| InChI | InChI=1S/C20H35NO16/c1-5(25)21-9-11(27)16(7(3-23)33-18(9)32)36-20-15(31)13(29)17(8(4-24)35-20)37-19-14(30)12(28)10(26)6(2-22)34-19/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 | QOITYCLKNIWNMP-PFKONQKMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-Galp-(1→4)-β-D-Galp-(1→4)-α-D-GlcpNAc (CHEBI:148176) has functional parent α-D-Galp-(1→4)-β-D-Galp (CHEBI:59314) |
| α-D-Galp-(1→4)-β-D-Galp-(1→4)-α-D-GlcpNAc (CHEBI:148176) has functional parent β-D-Galp-(1→4)-α-D-GlcpNAc (CHEBI:44331) |
| α-D-Galp-(1→4)-β-D-Galp-(1→4)-α-D-GlcpNAc (CHEBI:148176) is a acetamides (CHEBI:22160) |
| α-D-Galp-(1→4)-β-D-Galp-(1→4)-α-D-GlcpNAc (CHEBI:148176) is a amino trisaccharide (CHEBI:59266) |
| IUPAC Names |
|---|
| Gal(a1-4)Gal(b1-4)a-GlcNAc |
| α-D-galactopyranosyl-(1→4)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| α-D-galacto-hexopyranosyl-(1→4)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-gluco-hexopyranose | IUPAC |
| N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5R,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |