PDB CCD ID: | FEK |
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-/m1/s1 |
InChIKey: | GCEFMEUYUSFIFI-JRTVQGFMSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 2.0.6 | C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO | 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 | CACTVS 3.385 | OCC1=C[C@@H](O)[C@H](F)[C@@H](O)[C@H]1O |
|
Name: | (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol |