KDF
概要
| 表記: | 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid |
| 別名: | 2-keto-3-deoxygluconate 3-deoxy-alpha-D-erythro-hex-2-ulosonic acid; 3-deoxy-D-erythro-hex-2-ulosonic acid; 3-deoxy-erythro-hex-2-ulosonic acid |
| 組成式: | C6 H10 O6 |
| 電荷: | 0 |
| 化学式量: | 178.14 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 | 10.04 | 3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acid |
| OpenEye OEToolkits | 1.5.0 | (2R,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolane-2-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 | 10.04 | O=C(O)C1(O)OC(CO)C(O)C1 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1O[C@](O)(C[C@@H]1O)C(O)=O |
| SMILES | CACTVS | 3.341 | OC[CH]1O[C](O)(C[CH]1O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1[C@@H]([C@H](O[C@]1(C(=O)O)O)CO)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1C(C(OC1(C(=O)O)O)CO)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O6/c7-2-4-3(8)1-6(11,12-4)5(9)10/h3-4,7-8,11H,1-2H2,(H,9,10)/t3-,4+,6+/m0/s1 |
| InChIKey | InChI | 1.03 | RCUMQJPRQWRUNN-MRKVFDINSA-N |
