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CHEBI:50672 - N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine
| 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](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H]1O |
| WURCS | WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_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-JSCVLIECSA-N |
| Roles Classification |
|---|
| Biological Roles: | Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) has functional parent β-D-glucosaminyl-(1→4)-α-D-glucosamine (CHEBI:50676) |
| N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) is a N,N'-diacetylchitobiose (CHEBI:28681) |
| Incoming Relation(s) |
| α-D-Manp-(1→3)-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145618) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) |
| β-D-GclpNAc-(1→4)-[α-L-Fucp-(1→6)]-α-D-GclpNAc (CHEBI:148669) has functional parent N-acetyl-β-D-glucosaminyl-(1→4)-N-acetyl-α-D-glucosamine (CHEBI:50672) |
| IUPAC Name |
|---|
| 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]-2-deoxy-α-D-glucopyranose |
| UniProt Name | Source |
|---|---|
| α-di-N-acetylchitobiose | UniProt |