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CHEBI:145626 - β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-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]3O)[C@H](O)[C@H]2NC(C)=O)[C@@H](CO)O[C@@H]1O |
| WURCS | WURCS=2.0/3,3,2/[a2122h-1a_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5]/1-2-3/a4-b1_b4-c1 |
| InChI | InChI=1S/C22H38N2O16/c1-6(28)23-11-14(31)18(9(4-26)36-20(11)35)39-21-12(24-7(2)29)15(32)19(10(5-27)38-21)40-22-17(34)16(33)13(30)8(3-25)37-22/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 | OCPQLCXSCTTXMX-QRJHGKPHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145626) is a amino sugar (CHEBI:28963) |
| β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145626) is a trisaccharide derivative (CHEBI:63571) |
| Incoming Relation(s) |
| α-D-Manp-(1→3)-[α-D-Manp-(1→6)]-β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145610) has functional parent β-D-Manp-(1→4)-β-D-GlcpNAc-(1→4)-α-D-GlcpNAc (CHEBI:145626) |
| IUPAC Name |
|---|
| β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-α-D-glucopyranose |
| Synonyms | Source |
|---|---|
| N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | IUPAC |
| Man(b1-4)GlcNAc(b1-4)a-GlcNAc | IUPAC |