| PDB CCD ID: | U1Y |
| Number of entries in BioLiP: | 8 |
| Chemical formula: | C7 H14 O5 S |
| InChI: | InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1 |
| InChIKey: | XDEBRRDIMCXBPG-XUUWZHRGSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | SCC1OC(C(C(C1O)O)O)OC | | OpenEye OEToolkits 2.0.7 | COC1C(C(C(C(O1)CS)O)O)O | | CACTVS 3.385 | CO[CH]1O[CH](CS)[CH](O)[CH](O)[CH]1O | | OpenEye OEToolkits 2.0.7 | CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS)O)O)O | | CACTVS 3.385 | CO[C@@H]1O[C@H](CS)[C@@H](O)[C@H](O)[C@H]1O |
|
| Name: | methyl 6-thio-beta-D-glucopyranoside |
zhanggroup.org