49V
概要
| 表記: | 2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid |
| 別名: | 2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid 2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enuronic acid; 2-acetamido-2,4-dideoxy-L-erythro-hex-4-enuronic acid; 2-acetamido-2,4-dideoxy-erythro-hex-4-enuronic acid |
| 組成式: | C8 H11 N O6 |
| 電荷: | 0 |
| 化学式量: | 217.176 Da |
| 分子種別: | L-saccharide, alpha linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid |
| OpenEye OEToolkits | 1.9.2 | (3S,4S)-3-acetamido-2,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-6-carboxylic acid |
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(O)C=1OC(O)C(NC(=O)C)C(O)C=1 |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6-,8?/m0/s1 |
| InChIKey | InChI | 1.03 | AHFZYQXMAHOUES-WGFRLMHRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N[C@@H]1[C@H](O)OC(=C[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(=O)N[CH]1[CH](O)OC(=C[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CC(=O)N[C@H]1[C@H](C=C(OC1O)C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC(=O)NC1C(C=C(OC1O)C(=O)O)O |
