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| Ligand ID | Q3M |
| InChI | InChI=1S/C10H19NO4S/c1-5(13)11-8-7(16-2)3-6(4-12)9(14)10(8)15/h6-10,12,14-15H,3-4H2,1-2H3,(H,11,13)/t6-,7+,8+,9+,10-/m1/s1 |
| InChIKey | ZYKRTEHWXBHGOU-SQQIUAQRSA-N |
| SMILES | | Software | SMILES |
|---|
| ACDLabs 12.01 | CSC1CC(CO)C(O)C(O)C1NC(C)=O | | OpenEye OEToolkits 2.0.7 | CC(=O)N[C@H]1[C@H](C[C@@H]([C@@H]([C@@H]1O)O)CO)SC | | OpenEye OEToolkits 2.0.7 | CC(=O)NC1C(CC(C(C1O)O)CO)SC | | CACTVS 3.385 | CS[CH]1C[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O | | CACTVS 3.385 | CS[C@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O |
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| Formula | C10 H19 N O4 S |
| Name | Methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-D-galactopyranose;
N-[(1R,2R,3S,4R,6S)-2,3-dihydroxy-4-(hydroxymethyl)-6-(methylsulfanyl)cyclohexyl]acetamide |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 6xiy Chain A Residue 401
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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