| PDB CCD ID: | NK1 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C8 H15 O3 S |
| InChI: | InChI=1S/C8H15O3S/c9-5-2-1-3-12-4-6(10)7(11)8(5)12/h5-11H,1-4H2/q+1/t5-,6+,7+,8-,12+/m0/s1 |
| InChIKey: | YXHBFMXISHCSIQ-OZFRBSTCSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | C1CC(C2C(C(C[S+]2C1)O)O)O | | CACTVS 3.341 | O[CH]1CCC[S+]2C[CH](O)[CH](O)[CH]12 | | ACDLabs 10.04 | OC1CCC[S+]2C1C(O)C(O)C2 | | OpenEye OEToolkits 1.5.0 | C1C[C@@H]([C@H]2[C@@H]([C@@H](C[S@+]2C1)O)O)O | | CACTVS 3.341 | O[C@H]1CCC[S@+]2C[C@@H](O)[C@@H](O)[C@H]12 |
|
| Name: | (1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-5,7,8-TRIOL |
| ZINC: | ZINC000139824259 |
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