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| Ligand ID | 8I4 |
| InChI | InChI=1S/C7H12O7/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h1-6,8-12H,(H,13,14)/t1-,2-,3?,4+,5+,6-/m1/s1 |
| InChIKey | FMRFYBAGJDOHAJ-ZREPEFIBSA-N |
| SMILES | | Software | SMILES |
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| OpenEye OEToolkits 2.0.7 | [C@H]1([C@@H](C([C@H]([C@@H](C1C(=O)O)O)O)O)O)O | | CACTVS 3.385 | O[C@@H]1[C@@H](O)[C@H](O)[C@H]([C@@H](O)[C@@H]1O)C(O)=O | | OpenEye OEToolkits 2.0.7 | C1(C(C(C(C(C1O)O)O)O)O)C(=O)O | | CACTVS 3.385 | O[CH]1[CH](O)[CH](O)[CH]([CH](O)[CH]1O)C(O)=O |
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| Formula | C7 H12 O7 |
| Name | (2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid;
(2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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| DrugBank | |
| ZINC |
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| PDB chain | 7prt Chain D Residue 1
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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