| PDB CCD ID: | DO7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H14 O8 S |
| InChI: | InChI=1S/C7H14O8S/c1-14-7-6(10)5(9)4(8)3(15-7)2-16(11,12)13/h3-10H,2H2,1H3,(H,11,12,13)/t3-,4-,5+,6-,7+/m1/s1 |
| InChIKey: | UZKGZRGNYURGOF-ZFYZTMLRSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O | | OpenEye OEToolkits 2.0.7 | CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CS(=O)(=O)O)O)O)O | | CACTVS 3.385 | CO[CH]1O[CH](C[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O | | CACTVS 3.385 | CO[C@H]1O[C@H](C[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1O |
|
| Name: | [(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid;
Methylsulfoquinovoside |
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