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BioLiP Library

PDB CCD ID: DFX
Number of entries in BioLiP: 10
Chemical formula: C5 H9 F O3
InChI: InChI=1S/C5H9FO3/c6-3-1-9-2-4(7)5(3)8/h3-5,7-8H,1-2H2/t3-,4+,5+/m0/s1
InChIKey: YIJTWYXBSRZXRS-VPENINKCSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341O[C@@H]1COC[C@H](F)[C@H]1O
ACDLabs 10.04FC1COCC(O)C1O
CACTVS 3.341O[CH]1COC[CH](F)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H](CO1)F)O)O
OpenEye OEToolkits 1.5.0C1C(C(C(CO1)F)O)O
Name:1,5-anhydro-2-deoxy-2-fluoro-D-xylitol;
1,2-DEOXY-2-FLUORO-XYLOPYRANOSE
ZINC: ZINC000015297146
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)(download the PDF file).
  • 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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