| PDB CCD ID: | FH2 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C7 H11 F O4 |
| InChI: | InChI=1S/C7H11FO4/c8-5-4(10)1-3(2-9)6(11)7(5)12/h1,4-7,9-12H,2H2/t4-,5-,6-,7+/m0/s1 |
| InChIKey: | GCEFMEUYUSFIFI-ZTYPAOSTSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)CO | | CACTVS 3.385 | OCC1=C[C@H](O)[C@H](F)[C@@H](O)[C@H]1O | | OpenEye OEToolkits 2.0.6 | C1=C(C(C(C(C1O)F)O)O)CO | | CACTVS 3.385 | OCC1=C[CH](O)[CH](F)[CH](O)[CH]1O |
|
| Name: | (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol |
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