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CHEBI:147000 - α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc
| Formula | C22H38N2O16 |
| Net Charge | 0 |
| Average Mass | 586.544 |
| Monoisotopic Mass | 586.22213 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@@H](CO)O[C@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5_2*NCC/3=O]/1-2-3/a4-b1_b3-c1 |
| InChI | InChI=1S/C22H38N2O16/c1-6(28)23-11-16(33)18(10(5-27)36-20(11)35)39-22-17(34)19(14(31)9(4-26)38-22)40-21-12(24-7(2)29)15(32)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19+,20-,21-,22+/m1/s1 |
| InChIKey | LJYGCZXFBOCZHA-YYSXZPJPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) has functional parent N-acetyllactosamine (CHEBI:16153) |
| α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) has functional parent α-D-GalpNAc-(1→3)-β-D-Galp (CHEBI:62335) |
| α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) is a acetamides (CHEBI:22160) |
| α-D-GalpNAc-(1→3)-β-D-Gal-(1→4)-β-D-GlcpNAc (CHEBI:147000) is a amino trisaccharide (CHEBI:59266) |
| IUPAC Names |
|---|
| GalNAc(a1-3)Gal(b1-4)b-GlcNAc |
| 2-acetamido-2-deoxy-α-D-galactopyranosyl-(1→3)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-α-D-galacto-hexopyranosyl-(1→3)-β-D-galacto-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranose | IUPAC |
| N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5S,6R)-4-[(2R,3R,4R,5R,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |