Z9W
概要
| 表記: | 2-acetamido-2-deoxy-beta-D-quinovopyranose |
| 別名: | 2-acetamido-2,6-deoxy-beta-D-glucopyranose 6-deoxy-N-acetyl-beta-D-glucosamine; N-acetyl-beta-D-quinosamine; 2-acetamido-2-deoxy-beta-D-quinovose; 2-acetamido-2-deoxy-D-quinovose; 2-acetamido-2-deoxy-quinovose; 2-(acetylamino)-2,6-dideoxy-beta-D-glucopyranose |
| 組成式: | C8 H15 N O5 |
| 電荷: | 0 |
| 化学式量: | 205.208 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)-2,6-dideoxy-beta-D-glucopyranose |
| OpenEye OEToolkits | 1.7.6 | N-[(2R,3R,4R,5S,6R)-6-methyl-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide |
| GMML | 1.0 | DQuipNAcb |
| GMML | 1.0 | N-acetyl-b-D-quinovopyranosamine |
| GMML | 1.0 | QuiNAc |
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)C)C |
| InChI | InChI | 1.03 | InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6-,7-,8-/m1/s1 |
| InChIKey | InChI | 1.03 | XOCCAGJZGBCJME-PNAXYBNRSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | C[C@H]1O[C@@H](O)[C@H](NC(C)=O)[C@@H](O)[C@@H]1O |
| SMILES | CACTVS | 3.370 | C[CH]1O[CH](O)[CH](NC(C)=O)[CH](O)[CH]1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(C(C(O1)O)NC(=O)C)O)O |
