| PDB CCD ID: | U2A |
| Number of entries in BioLiP: | 5 |
| Chemical formula: | C7 H14 O5 S |
| InChI: | InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 |
| InChIKey: | VHSKYAXEXJLKPC-XUUWZHRGSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)S | | CACTVS 3.385 | CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1S | | ACDLabs 12.01 | SC1C(O)C(O)C(OC1OC)CO | | OpenEye OEToolkits 2.0.7 | COC1C(C(C(C(O1)CO)O)O)S | | CACTVS 3.385 | CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1S |
|
| Name: | methyl 2-thio-beta-D-glucopyranoside |
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