| PDB CCD ID: | 945 |
| Number of entries in BioLiP: | 1 |
| 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-XQCVOTFFSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C(C1C(C(C(C(C1OS(=O)(=O)O)O)O)O)O)O | | 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([C@@H]1[C@H]([C@@H]([C@H](C([C@@H]1OS(=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 |
|
| Name: | [(1~{R},2~{R},3~{R},4~{S},5~{R})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate |
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