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CHEBI:149315 - N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-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](OC[C@H]2OC(O)[C@H](NC(C)=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]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-2-3/a3-b1_a6-d1_b3-c1 |
| InChI | InChI=1S/C28H48N2O21/c1-7(34)29-13-19(40)15(36)9(3-31)47-26(13)45-6-12-18(39)23(14(25(44)46-12)30-8(2)35)50-28-22(43)24(17(38)11(5-33)49-28)51-27-21(42)20(41)16(37)10(4-32)48-27/h9-28,31-33,36-44H,3-6H2,1-2H3,(H,29,34)(H,30,35)/t9-,10-,11-,12-,13-,14-,15-,16+,17+,18+,19-,20+,21-,22-,23-,24+,25?,26-,27+,28+/m1/s1 |
| InChIKey | ABYLCXRBROQNGG-ANYDKXLUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5S,6R)-2-[[(2R,3R,4R,5R)-5-Acetamido-4-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:149315) is a amino sugar (CHEBI:28963) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->3)-beta-D-galacto-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galacto-hexopyranose | SUBMITTER |
| Gal(b1-3)Gal(b1-3)[GlcNAc(b1-6)]GalNAc | SUBMITTER |