| PDB CCD ID: | 4PW |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C6 H10 O5 |
| InChI: | InChI=1S/C6H10O5/c7-3-2-1-10-6(11-2)5(9)4(3)8/h2-9H,1H2/t2-,3-,4+,5-,6-/m1/s1 |
| InChIKey: | TWNIBLMWSKIRAT-VFUOTHLCSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1O | | OpenEye OEToolkits 1.9.2 | C1C2C(C(C(C(O1)O2)O)O)O | | OpenEye OEToolkits 1.9.2 | C1[C@@H]2[C@H]([C@@H]([C@H]([C@H](O1)O2)O)O)O | | ACDLabs 12.01 | OC1C(C2OC(C1O)OC2)O | | CACTVS 3.385 | O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1O |
|
| Name: | Levoglucosan;
(1R,2S,3S,4R,5R)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol |
| ChEMBL: | CHEMBL3138649 |
| ZINC: | ZINC000003881595 |
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