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BioLiP

PDB CCD ID: BXF
Number of entries in BioLiP: 2
Chemical formula: C5 H9 F O4
InChI: InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5-/m1/s1
InChIKey: YVMHSZGJGHRGOD-SQOUGZDYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C1[C@H]([C@@H]([C@H]([C@@H](O1)O)F)O)O
CACTVS 3.370O[C@@H]1CO[C@@H](O)[C@H](F)[C@H]1O
CACTVS 3.370O[CH]1CO[CH](O)[CH](F)[CH]1O
OpenEye OEToolkits 1.7.6C1C(C(C(C(O1)O)F)O)O
ACDLabs 12.01FC1C(O)C(O)COC1O
Name:2-deoxy-2-fluoro-beta-D-xylopyranose;
2-deoxy-2-fluoro-beta-D-xylose;
2-deoxy-2-fluoro-D-xylose;
2-deoxy-2-fluoro-xylose
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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