M1Y
概要
| 表記: | (1S)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-xylitol |
| 組成式: | C10 H15 N2 O9 P |
| 電荷: | 0 |
| 化学式量: | 338.208 Da |
| 分子種別: | RNA linking |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | (1S)-1,4-anhydro-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-xylitol |
| OpenEye OEToolkits | 2.0.6 | [(2~{R},3~{R},4~{R},5~{S})-5-[1-methyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | CN2C(=O)NC(=O)C(C1C(O)C(O)C(COP(=O)(O)O)O1)=C2 |
| InChI | InChI | 1.03 | InChI=1S/C10H15N2O9P/c1-12-2-4(9(15)11-10(12)16)8-7(14)6(13)5(21-8)3-20-22(17,18)19/h2,5-8,13-14H,3H2,1H3,(H,11,15,16)(H2,17,18,19)/t5-,6+,7-,8+/m1/s1 |
| InChIKey | InChI | 1.03 | VORAOZTXNOXTGQ-CWKFCGSDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C=C([C@@H]2O[C@H](CO[P](O)(O)=O)[C@H](O)[C@H]2O)C(=O)NC1=O |
| SMILES | CACTVS | 3.385 | CN1C=C([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)C(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@H]([C@H](O2)COP(=O)(O)O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1C=C(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)O |
