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BioLiP Library

PDB CCD ID: FFX
Number of entries in BioLiP: 1
Chemical formula: C5 H8 F2 O4
InChI: InChI=1S/C5H8F2O4/c6-4-2(9)1(8)3(10)5(7)11-4/h1-5,8-10H/t1-,2-,3+,4-,5+
InChIKey: QCYATGUEQPTSRF-IYJRPRHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1C1(C(C(OC(C1O)F)F)O)O
CACTVS 3.352O[CH]1[CH](O)[CH](F)O[CH](F)[CH]1O
OpenEye OEToolkits 1.6.1C1([C@H]([C@@H](O[C@@H]([C@H]1O)F)F)O)O
CACTVS 3.352O[C@@H]1[C@@H](O)[C@H](F)O[C@H](F)[C@H]1O
ACDLabs 10.04FC1OC(F)C(O)C(O)C1O
Name:(2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL
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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