PDB CCD ID: | 295 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C9 H9 F O4 |
InChI: | InChI=1S/C9H9FO4/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,11-12H,(H,13,14)/t7-,8-/m0/s1 |
InChIKey: | DWYLYIVEFVSGCP-YUMQZZPRSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | c1cc(ccc1C(C(C(=O)O)O)O)F | OpenEye OEToolkits 1.5.0 | c1cc(ccc1[C@@H]([C@@H](C(=O)O)O)O)F | CACTVS 3.341 | O[C@@H]([C@@H](O)c1ccc(F)cc1)C(O)=O | CACTVS 3.341 | O[CH]([CH](O)c1ccc(F)cc1)C(O)=O | ACDLabs 10.04 | Fc1ccc(cc1)C(O)C(O)C(=O)O |
|
Name: | (2S,3S)-3-(4-fluorophenyl)-2,3-dihydroxypropanoic acid |
DrugBank: | DB06946 |