EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H28N2O11 |
| Net Charge | 0 |
| Average Mass | 424.403 |
| Monoisotopic Mass | 424.16931 |
| SMILES | CC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)C(O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@@H]1O |
| WURCS | WURCS=2.0/2,2,1/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1a_1-5_2*NCC/3=O]/1-2/a4-b1 |
| InChI | InChI=1S/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,15?,16-/m1/s1 |
| InChIKey | CDOJPCSDOXYJJF-LIQXALPGSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293) has functional parent N-acetyl-D-glucosamine (CHEBI:506227) |
| α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293) has functional parent N-acetyl-α-D-glucosamine (CHEBI:44278) |
| α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293) is a acetamides (CHEBI:22160) |
| α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293) is a amino disaccharide (CHEBI:22480) |
| α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293) is a glucosamine oligosaccharide (CHEBI:22485) |
| Incoming Relation(s) |
| diacetylchitobiose-6'-phosphate (CHEBI:64897) has functional parent α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293) |
| α-D-GlcpNAc-(1→4)-β-D-GlcpNAc (CHEBI:147136) is a α-D-GlcpNAc-(1→4)-D-GlcpNAc (CHEBI:154293) |
| IUPAC Names |
|---|
| GlcNAc(a1-4)GlcNAc |
| 2-acetamido-4-O-(2-acetamido-2-deoxy-α-D-glucopyranosyl)-2-deoxy-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-α-D-gluco-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-D-gluco-hexopyranose | IUPAC |
| N-[(3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |
| diacetylchitobiose | ChEBI |