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| Ligand ID | 1S3 |
| InChI | InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey | PUJJEEQZLDDQPG-VFUOTHLCSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | C(C1C(C(C2C(O1)OP(=O)(O2)O)O)O)O | | OpenEye OEToolkits 1.7.6 | C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OP(=O)(O2)O)O)O)O | | CACTVS 3.370 | OC[CH]1O[CH]2O[P](O)(=O)O[CH]2[CH](O)[CH]1O | | CACTVS 3.370 | OC[C@H]1O[C@@H]2O[P](O)(=O)O[C@@H]2[C@@H](O)[C@@H]1O | | ACDLabs 12.01 | O=P1(OC2C(O)C(O)C(OC2O1)CO)O |
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| Formula | C6 H11 O8 P |
| Name | (2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide;
Glucose1,2cyclic phosphate |
| ChEMBL | |
| DrugBank | |
| ZINC |
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| PDB chain | 4kq2 Chain C Residue 801
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[Download structure with residue number starting from 1]
[View ligand structure]
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