GP1
概要
| 表記: | 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose |
| 別名: | GLUCOSAMINE 1-PHOSPHATE 1-O-phosphono-alpha-D-glucosamine; 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose; 2-amino-2-deoxy-1-O-phosphono-D-glucose; 2-amino-2-deoxy-1-O-phosphono-glucose |
| 組成式: | C6 H14 N O8 P |
| 電荷: | 0 |
| 化学式量: | 259.151 Da |
| 分子種別: | D-saccharide |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2R,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate |
| PDB-CARE | 1.0 | a-D-Glcp1PO3N |
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(OC1OC(C(O)C(O)C1N)CO)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[P](O)(O)=O |
| SMILES | CACTVS | 3.341 | N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O)(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1 |
| InChIKey | InChI | 1.03 | YMJBYRVFGYXULK-QZABAPFNSA-N |
