PMP
概要
| 表記: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE |
| 別名: | PYRIDOXAMINE-5'-PHOSPHATE |
| 組成式: | C8 H13 N2 O5 P |
| 電荷: | 0 |
| 化学式量: | 248.173 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | [4-(aminomethyl)-5-hydroxy-6-methylpyridin-3-yl]methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [4-(aminomethyl)-5-hydroxy-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 | 10.04 | O=P(O)(O)OCc1cnc(c(O)c1CN)C |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(CO[P](O)(O)=O)c(CN)c1O |
| SMILES | CACTVS | 3.341 | Cc1ncc(CO[P](O)(O)=O)c(CN)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)COP(=O)(O)O)CN)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)COP(=O)(O)O)CN)O |
| InChI | InChI | 1.03 | InChI=1S/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14) |
| InChIKey | InChI | 1.03 | ZMJGSOSNSPKHNH-UHFFFAOYSA-N |
