NAG
概要
| 表記: | 2-acetamido-2-deoxy-beta-D-glucopyranose |
| 別名: | N-acetyl-beta-D-glucosamine 2-acetamido-2-deoxy-beta-D-glucose; 2-acetamido-2-deoxy-D-glucose; 2-acetamido-2-deoxy-glucose; N-ACETYL-D-GLUCOSAMINE |
| 組成式: | C8 H15 N O6 |
| 電荷: | 0 |
| 化学式量: | 221.208 Da |
| 分子種別: | D-saccharide, beta linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-(acetylamino)-2-deoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
| GMML | 1.0 | DGlcpNAcb |
| GMML | 1.0 | N-acetyl-b-D-glucopyranosamine |
| PDB-CARE | 1.0 | b-D-GlcpNAc |
| GMML | 1.0 | GlcNAc |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=C(NC1C(O)C(O)C(OC1O)CO)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | OVRNDRQMDRJTHS-FMDGEEDCSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)NC1C(C(C(OC1O)CO)O)O |
