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CHEBI:151380 - N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-3-[(2S,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]oxy-4,5-dihydroxy-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]2[C@H](O[C@H]3[C@H](O)[C@@H](CO)OC(O)[C@@H]3NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2122h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5][a2122h-1b_1-5_2*NCC/3=O]/1-2-3-2/a3-b1_b2-c1_c3-d1 |
| InChI | InChI=1S/C28H48N2O21/c1-7(35)29-13-22(17(39)11(5-33)45-25(13)44)50-28-24(20(42)16(38)10(4-32)48-28)51-26-14(30-8(2)36)23(18(40)12(6-34)46-26)49-27-21(43)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 | OCRNBTDMSCTRIY-HZTZFHJNSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-3-[(2S,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]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:151380) 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->2)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-D-gluco-hexopyranose | SUBMITTER |
| Gal(b1-3)GlcNAc(b1-2)Gal(b1-3)GlcNAc | SUBMITTER |