D6G
概要
表記: | 2-deoxy-6-O-phosphono-alpha-D-glucopyranose |
別名: | 2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose 2-deoxy-alpha-D-glucopyranose 6-phosphate; 2-deoxy-6-O-phosphono-alpha-D-glucose; 2-deoxy-6-O-phosphono-D-glucose; 2-deoxy-6-O-phosphono-glucose |
組成式: | C6 H13 O8 P |
電荷: | 0 |
化学式量: | 244.136 Da |
分子種別: | D-saccharide, alpha linking |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | 2-deoxy-6-O-phosphono-alpha-D-arabino-hexopyranose |
OpenEye OEToolkits | 1.7.6 | [(2R,3S,4R,6S)-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate |
PDB-CARE | 1.0 | a-D-2-deoxy-Glcp6PO3 |
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)OCC1OC(O)CC(O)C1O |
InChI | InChI | 1.03 | InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5+,6+/m1/s1 |
InChIKey | InChI | 1.03 | UQJFZAAGZAYVKZ-ZXXMMSQZSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | O[C@@H]1C[C@@H](O)[C@H](O)[C@@H](CO[P](O)(O)=O)O1 |
SMILES | CACTVS | 3.370 | O[CH]1C[CH](O)[CH](O)[CH](CO[P](O)(O)=O)O1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | C1C(C(C(OC1O)COP(=O)(O)O)O)O |