SGN
概要
| 表記: | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose |
| 別名: | N,O6-DISULFO-GLUCOSAMINE 6-O-sulfo-N-sulfo-alpha-D-glucosamine; 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucose; 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucose; 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucose |
| 組成式: | C6 H13 N O11 S2 |
| 電荷: | 0 |
| 化学式量: | 339.298 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 | 10.04 | 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose |
| OpenEye OEToolkits | 1.5.0 | [(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid |
| GMML | 1.0 | DGlcpNS[6S]a |
| GMML | 1.0 | N-sulfo-6-sulfo-a-D-glucopyranose |
| PDB-CARE | 1.0 | a-D-GlcpNSO36SO3 |
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=S(=O)(O)OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O |
| SMILES_CANONICAL | CACTVS | 3.341 | O[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O |
| SMILES | CACTVS | 3.341 | O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(C1C(C(C(C(O1)O)NS(=O)(=O)O)O)O)OS(=O)(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1 |
| InChIKey | InChI | 1.03 | DQTRACMFIGDHSN-UKFBFLRUSA-N |
