RHA
概要
表記: | 6-deoxy-1-O-phosphono-alpha-L-rhamnopyranose |
別名: | 6-DEOXY-MANNOSE-1'-PHOSPHATE 6-deoxy-1-O-phosphono-alpha-L-mannopyranose; 6-deoxy-1-O-phosphono-alpha-L-rhamnose; 6-deoxy-1-O-phosphono-L-rhamnose; 6-deoxy-1-O-phosphono-rhamnose |
組成式: | C6 H13 O8 P |
電荷: | 0 |
化学式量: | 244.136 Da |
分子種別: | L-saccharide |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 10.04 | 6-deoxy-1-O-phosphono-alpha-L-mannopyranose |
OpenEye OEToolkits | 1.5.0 | [(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl] dihydrogen phosphate |
PDB-CARE | 1.0 | a-L-Rhap1PO3 |
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)C1O)C)(O)O |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H]1O[C@@H](O[P](O)(O)=O)[C@H](O)[C@H](O)[C@H]1O |
SMILES | CACTVS | 3.341 | C[CH]1O[CH](O[P](O)(O)=O)[CH](O)[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OP(=O)(O)O)O)O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC1C(C(C(C(O1)OP(=O)(O)O)O)O)O |
InChI | InChI | 1.03 | InChI=1S/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)/t2-,3-,4+,5+,6-/m0/s1 |
InChIKey | InChI | 1.03 | PTVXQARCLQPGIR-YJRYQGEOSA-N |