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BioLiP Library

PDB CCD ID: A1H37
Number of entries in BioLiP: 4
Chemical formula: C6 H9 F O3
InChI: InChI=1S/C6H9FO3/c7-3-1-9-4-2-10-6(3)5(4)8/h3-6,8H,1-2H2/t3-,4+,5-,6+/m0/s1
InChIKey: BIAPWCHZUDCPBP-BGPJRJDNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1[C@@H]2[C@@H]([C@H](O1)[C@H](CO2)F)O
OpenEye OEToolkits 2.0.7C1C2C(C(O1)C(CO2)F)O
CACTVS 3.385O[CH]1[CH]2CO[CH]1[CH](F)CO2
CACTVS 3.385O[C@H]1[C@H]2CO[C@@H]1[C@@H](F)CO2
Name:(1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol;
1,2-diF-ADG;
3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl 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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