PDB CCD ID: | 9O6 |
Number of entries in BioLiP: | 2 |
Chemical formula: | C9 H9 F O3 |
InChI: | InChI=1S/C9H9FO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,(H,12,13)/t7-,8-/m0/s1 |
InChIKey: | POQABCILWJYWJF-YUMQZZPRSA-N |
SMILES: | Software | SMILES |
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OpenEye OEToolkits 2.0.6 | c1ccc(cc1)[C@@H]([C@@H](C(=O)O)O)F | CACTVS 3.385 | O[C@@H]([C@@H](F)c1ccccc1)C(O)=O | OpenEye OEToolkits 2.0.6 | c1ccc(cc1)C(C(C(=O)O)O)F | CACTVS 3.385 | O[CH]([CH](F)c1ccccc1)C(O)=O | ACDLabs 12.01 | c1cccc(c1)C(C(O)C(=O)O)F |
|
Name: | (2R,3S)-3-fluoro-2-hydroxy-3-phenylpropanoic acid |