LM2
概要
| 表記: | 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE |
| 別名: | 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM |
| 組成式: | C19 H34 N2 O15 |
| 電荷: | 0 |
| 化学式量: | 530.478 Da |
| 分子種別: | saccharide |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | (2R,3R,4R,5S,6Z)-4,5-dihydroxy-6-(hydroxyimino)-2-(hydroxymethyl)piperidin-3-yl 4-O-(4-O-methyl-alpha-D-glucopyranosyl)-alpha-D-glucopyranoside |
| OpenEye OEToolkits | 1.5.0 | (2Z,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxy-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxyimino-6-(hydroxymethyl)piperidine-3,4-diol |
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(C1C(O)C(O)C(=N\O)\NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O)C(O)C3O)CO |
| InChI | InChI | 1.03 | InChI=1S/C19H34N2O15/c1-32-15-6(3-23)33-19(12(29)9(15)26)36-16-7(4-24)34-18(13(30)10(16)27)35-14-5(2-22)20-17(21-31)11(28)8(14)25/h5-16,18-19,22-31H,2-4H2,1H3,(H,20,21)/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16-,18-,19-/m1/s1 |
| InChIKey | InChI | 1.03 | INFXBQXKGPGIEV-PXPLVWFRSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[C@@H]3[C@@H](CO)NC(=N\O)/[C@H](O)[C@H]3O |
| SMILES | CACTVS | 3.385 | CO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](CO)NC(=NO)[CH](O)[CH]3O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)O)CO)CO)CO |
| SMILES | OpenEye OEToolkits | 1.7.5 | COC1C(OC(C(C1O)O)OC2C(OC(C(C2O)O)OC3C(NC(=NO)C(C3O)O)CO)CO)CO |
