| PDB CCD ID: | DSK |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H25 O9 S |
| InChI: | InChI=1S/C12H25O9S/c13-1-5(15)10(19)12(21)11(20)7(17)4-22-3-6(16)9(18)8(22)2-14/h5-21H,1-4H2/q+1/t5-,6+,7+,8+,9-,10+,11+,12+,22-/m0/s1 |
| InChIKey: | JWOANRNVWBCYDC-RRTSSKPOSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.0 | C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](CO)O)O)O)O)O)CO)O)O | | CACTVS 3.352 | OC[CH](O)[CH](O)[CH](O)[CH](O)[CH](O)C[S+]1C[CH](O)[CH](O)[CH]1CO | | OpenEye OEToolkits 1.7.0 | C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)O)O)CO)O)O | | CACTVS 3.352 | OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO |
|
| Name: | (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name) |
| ChEMBL: | CHEMBL1232371 |
| ZINC: | ZINC000058638465 |
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