DDA
概要
表記: | beta-D-Olivopyranose |
別名: | beta-D-Olivose 2,6-dideoxy-beta-D-arabino-hexopyranose; 2,6-dideoxy-beta-D-glucopyranose; 2,6-dideoxy-beta-D-mannopyranose; 2-deoxy-beta-D-quinovopyranose; 2-deoxy-beta-D-rhamnoopyranose; D-Olivose; Olivose; 2,6-DIDEOXY-BETA-D-GLUCOSE; 2,6-DIDEOXY-BETA-D-MANNOSE |
組成式: | C6 H12 O4 |
電荷: | 0 |
化学式量: | 148.157 Da |
分子種別: | D-saccharide, beta linking |
化合物名
プログラム | バージョン | 表記 |
ACDLabs | 12.01 | 2,6-dideoxy-beta-D-arabino-hexopyranose |
OpenEye OEToolkits | 1.7.6 | (2R,4R,5S,6R)-6-methyloxane-2,4,5-triol |
GMML | 1.0 | DOlib |
GMML | 1.0 | b-D-Olivopyranose |
PDB-CARE | 1.0 | b-D-2,6-deoxy-Glcp |
GMML | 1.0 | Oli |
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 | OC1C(OC(O)CC1O)C |
InChI | InChI | 1.03 | InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1 |
InChIKey | InChI | 1.03 | FDWRIIDFYSUTDP-KVTDHHQDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H]1O[C@@H](O)C[C@@H](O)[C@@H]1O |
SMILES | CACTVS | 3.385 | C[CH]1O[CH](O)C[CH](O)[CH]1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@H]([C@@H](C[C@@H](O1)O)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(CC(O1)O)O)O |