PZP
概要
| 表記: | [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-yl]methyl dihydrogen phosphate |
| 別名: | pyridoximine-5'-phosphate |
| 組成式: | C8 H11 N2 O5 P |
| 電荷: | 0 |
| 化学式量: | 246.157 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | {5-hydroxy-4-[(E)-iminomethyl]-6-methylpyridin-3-yl}methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.7.0 | [5-hydroxy-4-(iminomethyl)-6-methyl-pyridin-3-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 | O=P(O)(O)OCc1cnc(c(O)c1C=[N@H])C |
| SMILES_CANONICAL | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=N)c1O |
| SMILES | CACTVS | 3.370 | Cc1ncc(CO[P](O)(O)=O)c(C=N)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C/c1c(cnc(c1O)C)COP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | Cc1c(c(c(cn1)COP(=O)(O)O)C=N)O |
| InChI | InChI | 1.03 | InChI=1S/C8H11N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h2-3,9,11H,4H2,1H3,(H2,12,13,14)/b9-2+ |
| InChIKey | InChI | 1.03 | CLOXDHRIVOURLQ-XNWCZRBMSA-N |
