| PDB CCD ID: | BGS |
| Number of entries in BioLiP: | 4 |
| Chemical formula: | C8 H16 O7 S |
| InChI: | InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1 |
| InChIKey: | OFMOVPVQFRZDRQ-CBQIKETKSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | CC[S](=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | | OpenEye OEToolkits 1.5.0 | CCS(=O)(=O)C1C(C(C(C(O1)CO)O)O)O | | CACTVS 3.341 | CC[S](=O)(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O | | ACDLabs 10.04 | O=S(=O)(C1OC(C(O)C(O)C1O)CO)CC | | OpenEye OEToolkits 1.5.0 | CCS(=O)(=O)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
|
| Name: | (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol;
BETA-D-GLUCOPYRANOSYLSULFONYLETHANE |
| ZINC: | ZINC000016051802 |
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