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BioLiP

PDB CCD ID: TW7
Number of entries in BioLiP: 2
Chemical formula: C6 H9 F3 O4
InChI: InChI=1S/C6H9F3O4/c7-5-6(8,9)4(12)3(11)2(1-10)13-5/h2-5,10-12H,1H2/t2-,3-,4+,5+/m1/s1
InChIKey: RMSFNMADPLSBKL-MBMOQRBOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H](C([C@H](O1)F)(F)F)O)O)O
ACDLabs 12.01C1(F)C(F)(F)C(C(O)C(O1)CO)O
CACTVS 3.385OC[CH]1O[CH](F)C(F)(F)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C(C1C(C(C(C(O1)F)(F)F)O)O)O
CACTVS 3.385OC[C@H]1O[C@H](F)C(F)(F)[C@@H](O)[C@@H]1O
Name:2-deoxy-2,2-difluoro-alpha-D-arabino-hexopyranosyl fluoride
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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