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BioLiP

PDB CCD ID: 5FX
Number of entries in BioLiP: 3
Chemical formula: C5 H9 F O4
InChI: InChI=1S/C5H9FO4/c6-1-3(8)5(10)4(9)2-7/h3,5,7-8,10H,1-2H2/t3-,5+/m1/s1
InChIKey: DZPAPJMTQBXJAM-WUJLRWPWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C(C(C(C(=O)CO)O)O)F
CACTVS 3.385OCC(=O)[CH](O)[CH](O)CF
CACTVS 3.385OCC(=O)[C@@H](O)[C@H](O)CF
ACDLabs 12.01O=C(CO)C(O)C(O)CF
OpenEye OEToolkits 1.9.2C([C@H]([C@@H](C(=O)CO)O)O)F
Name:5-deoxy-5-fluoro-D-xylulose
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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