| PDB CCD ID: | HF8 |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C7 H14 O9 S |
| InChI: | InChI=1S/C7H14O9S/c8-1-2-3(9)4(10)5(11)6(12)7(2)16-17(13,14)15/h2-12H,1H2,(H,13,14,15)/t2-,3+,4+,5-,6+,7+/m1/s1 |
| InChIKey: | PDBNIRCVRHFXAD-ADTCQYHUSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O | | OpenEye OEToolkits 2.0.6 | C(C1C(C(C(C(C1OS(=O)(=O)O)O)O)O)O)O | | CACTVS 3.385 | OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O)=O | | OpenEye OEToolkits 2.0.6 | C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(=O)(=O)O)O)O)O)O)O |
|
| Name: | [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
zhanggroup.org