GUZ
概要
| 表記: | 2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid |
| 別名: | 2-deoxy-2-fluoro-alpha-glucuronide 2-deoxy-2-fluoro-alpha-D-glucuronic acid; 2-deoxy-2-fluoro-D-glucuronic acid; 2-deoxy-2-fluoro-glucuronic acid |
| 組成式: | C6 H9 F O6 |
| 電荷: | 0 |
| 化学式量: | 196.13 Da |
| 分子種別: | D-saccharide, alpha linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 2-deoxy-2-fluoro-alpha-D-glucopyranuronic acid |
| OpenEye OEToolkits | 1.7.6 | (2S,3S,4S,5R,6S)-5-fluoranyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid |
| PDB-CARE | 1.0 | a-D-GlcpA2fluoro |
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 | FC1C(O)C(O)C(OC1O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m1/s1 |
| InChIKey | InChI | 1.03 | LDVYRSUUUDDWHG-CLQWQSTFSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O |
| SMILES | CACTVS | 3.370 | O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1F)O)C(=O)O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1(C(C(OC(C1F)O)C(=O)O)O)O |
