| PDB CCD ID: | 58Y |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C8 H15 N O4 S |
| InChI: | InChI=1S/C8H15NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h3-12H,2H2,1H3/t3-,4-,5-,6+,7-,8-/m1/s1 |
| InChIKey: | XWPUWEBFKDEDIF-CVBHLRHXSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.9.2 | CC1NC2C(C(C(OC2S1)CO)O)O | | CACTVS 3.385 | C[CH]1N[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2S1 | | CACTVS 3.385 | C[C@@H]1N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]2S1 | | ACDLabs 12.01 | C12C(C(C(O)C(CO)O1)O)NC(S2)C | | OpenEye OEToolkits 1.9.2 | C[C@@H]1N[C@@H]2[C@H]([C@H]([C@H](O[C@@H]2S1)CO)O)O |
|
| Name: | (2R,3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methylhexahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol |
| ZINC: | ZINC000584905176 |
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