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CHEBI:157084 - N-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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]2O)[C@@H](O)[C@@H](CO[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]3O)[C@H]2NC(C)=O)O[C@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a3-b1_a6-c1_c3-d1 |
| InChI | InChI=1S/C28H48N2O21/c1-7(34)29-13-23(50-27-21(42)19(40)15(36)9(3-31)48-27)18(39)12(46-25(13)44)6-45-26-14(30-8(2)35)24(17(38)11(5-33)47-26)51-28-22(43)20(41)16(37)10(4-32)49-28/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 | LDUMOFSHQMRLPF-GGDLZPOJSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-2,5-dihydroxy-4-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide (CHEBI:157084) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[beta-D-galacto-hexopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-galacto-hexopyranose | SUBMITTER |
| Gal(b1-3)GlcNAc(b1-6)[Gal(b1-3)]b-GalNAc | SUBMITTER |