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BioLiP Library

PDB CCD ID: AFR
Number of entries in BioLiP: 1
Chemical formula: C6 H9 F O5
InChI: InChI=1S/C6H9FO5/c7-6(2-8)5(11)4(10)3(9)1-12-6/h4-5,8,10-11H,1-2H2/t4-,5+,6-/m1/s1
InChIKey: VCJAHEOIRFFLTQ-NGJCXOISSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C1C(O)C(O)C(F)(OC1)CO
OpenEye OEToolkits 1.9.2C1C(=O)C(C(C(O1)(CO)F)O)O
CACTVS 3.385OC[C@@]1(F)OCC(=O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.9.2C1C(=O)[C@H]([C@@H]([C@](O1)(CO)F)O)O
CACTVS 3.385OC[C]1(F)OCC(=O)[CH](O)[CH]1O
Name:alpha-D-threo-hexo-2,5-diulo-5,1-pyranosyl fluoride;
2-OXO-1,2,DIDEOXY-5F-D-GLUCOPYRANOSE;
alpha-D-threo-hexo-2,5-diulo-5,1-syl fluoride;
D-threo-hexo-2,5-diulo-5,1-syl fluoride;
threo-hexo-2,5-diulo-5,1-syl fluoride
ZINC: ZINC000095921361
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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