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CHEBI:156916 - N-[(2R,3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
| Formula | C28H48N2O21 |
| Net Charge | 0 |
| Average Mass | 748.685 |
| Monoisotopic Mass | 748.27496 |
| SMILES | CC(=O)N[C@@H]1[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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H]2NC(C)=O)[C@@H](O)[C@@H](CO)O[C@H]1O |
| WURCS | WURCS=2.0/4,4,3/[a2112h-1b_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2112h-1a_1-5]/1-2-3-4/a3-b1_b3-c1_c3-d1 |
| InChI | InChI=1S/C28H48N2O21/c1-7(35)29-13-22(16(38)10(4-32)45-25(13)44)49-26-14(30-8(2)36)23(17(39)11(5-33)46-26)50-28-21(43)24(18(40)12(6-34)48-28)51-27-20(42)19(41)15(37)9(3-31)47-27/h9-28,31-34,37-44H,3-6H2,1-2H3,(H,29,35)(H,30,36)/t9-,10-,11-,12-,13-,14-,15+,16+,17-,18+,19+,20-,21-,22-,23-,24+,25-,26+,27-,28+/m1/s1 |
| InChIKey | KZJRWMGKSMFHCV-KCZCPECLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5R,6R)-4-[(2R,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:156916) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |
| Synonyms | Source |
|---|---|
| alpha-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose | SUBMITTER |
| Gal(a1-3)Gal(b1-3)GlcNAc(b1-3)b-GalNAc | SUBMITTER |