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CHEBI:152966 - N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R)-2-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-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](O[C@H]2[C@@H](O)[C@@H](CO[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)OC(O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/3,4,3/[a2112h-1x_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2-2-3/a3-b1_a6-c1_c4-d1 |
| InChI | InChI=1S/C28H48N2O21/c1-7(34)29-13-18(39)15(36)9(3-31)47-27(13)51-24-17(38)12(46-25(44)22(24)43)6-45-26-14(30-8(2)35)19(40)23(11(5-33)49-26)50-28-21(42)20(41)16(37)10(4-32)48-28/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 | PFAXQQZOHHETMV-KDFFXUGKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5R)-2-[[(2R,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5,6-trihydroxyoxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide (CHEBI:152966) is a carbohydrates and carbohydrate derivatives (CHEBI:78616) |
| Synonyms | Source |
|---|---|
| beta-D-galacto-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)]-D-galacto-hexopyranose | SUBMITTER |
| Gal(b1-4)GlcNAc(b1-6)[GlcNAc(b1-3)]Gal | SUBMITTER |