EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:146745 - β-D-GlcpNAc-(1→4)-β-D-Manp-(1→4)-β-D-GlcpNAc
| Formula | C22H38N2O16 |
| Net Charge | 0 |
| Average Mass | 586.544 |
| Monoisotopic Mass | 586.22213 |
| SMILES | CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@@H]2O)[C@@H](CO)O[C@H]1O |
| WURCS | WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2-1/a4-b1_b4-c1 |
| InChI | InChI=1S/C22H38N2O16/c1-6(28)23-11-15(32)18(9(4-26)36-20(11)35)40-22-17(34)16(33)19(10(5-27)38-22)39-21-12(24-7(2)29)14(31)13(30)8(3-25)37-21/h8-22,25-27,30-35H,3-5H2,1-2H3,(H,23,28)(H,24,29)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17+,18-,19-,20-,21+,22+/m1/s1 |
| InChIKey | QKUOCJMMCKELLD-YVSBGJLMSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-GlcpNAc-(1→4)-β-D-Manp-(1→4)-β-D-GlcpNAc (CHEBI:146745) has functional parent β-D-GlcpNAc-(1→4)-β-D-Manp (CHEBI:147118) |
| β-D-GlcpNAc-(1→4)-β-D-Manp-(1→4)-β-D-GlcpNAc (CHEBI:146745) has functional parent β-D-Manp-(1→4)-β-D-GlcpNAc (CHEBI:71553) |
| β-D-GlcpNAc-(1→4)-β-D-Manp-(1→4)-β-D-GlcpNAc (CHEBI:146745) is a acetamides (CHEBI:22160) |
| β-D-GlcpNAc-(1→4)-β-D-Manp-(1→4)-β-D-GlcpNAc (CHEBI:146745) is a amino trisaccharide (CHEBI:59266) |
| IUPAC Names |
|---|
| GlcNAc(b1-4)Man(b1-4)b-GlcNAc |
| 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranose |
| Synonyms | Source |
|---|---|
| 2-acetamido-2-deoxy-β-D-gluco-hexopyranosyl-(1→4)-β-D-manno-hexopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-gluco-hexopyranose | IUPAC |
| N-[(2R,3R,4R,5S,6R)-5-[(2S,3S,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |