PMH
概要
| 表記: | (5-HYDROXY-4-{[(3-HYDROXYISOXAZOL-4-YL)AMINO]METHYL}-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE |
| 別名: | PMP-HYDROXYISOXAZOLE PYRIDOXAMINE-5-PHOSPHATE-HYDROXYISOXAZOLE |
| 組成式: | C11 H14 N3 O7 P |
| 電荷: | 0 |
| 化学式量: | 331.219 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 | (5-hydroxy-4-{[(3-hydroxyisoxazol-4-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate |
| OpenEye OEToolkits | 1.5.0 | [5-hydroxy-4-[[(3-hydroxy-1,2-oxazol-4-yl)amino]methyl]-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)OCc1c(c(O)c(nc1)C)CNc2conc2O |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O |
| SMILES | CACTVS | 3.341 | Cc1ncc(CO[P](O)(O)=O)c(CNc2conc2O)c1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(c(c(cn1)COP(=O)(O)O)CNc2conc2O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14N3O7P/c1-6-10(15)8(3-13-9-5-20-14-11(9)16)7(2-12-6)4-21-22(17,18)19/h2,5,13,15H,3-4H2,1H3,(H,14,16)(H2,17,18,19) |
| InChIKey | InChI | 1.03 | PXWFNGNWQUPGPJ-UHFFFAOYSA-N |
