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BioLiP

PDB CCD ID: 48Z
Number of entries in BioLiP: 2
Chemical formula: C5 H10 F O6 P S
InChI: InChI=1S/C5H10FO6PS/c6-3-4(7)2(12-5(3)8)1-11-13(9,10)14/h2-5,7-8H,1H2,(H2,9,10,14)/t2-,3+,4-,5+/m1/s1
InChIKey: ACXIGHNBDAUOFX-LECHCGJUSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[C@H]1O[C@H](CO[P](O)(S)=O)[C@@H](O)[C@@H]1F
CACTVS 3.370O[CH]1O[CH](CO[P](O)(S)=O)[CH](O)[CH]1F
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H](O1)O)F)O)O[P@](=O)(O)S
ACDLabs 12.01FC1C(O)C(OC1O)COP(=O)(O)S
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)O)F)O)OP(=O)(O)S
Name:2-deoxy-2-fluoro-5-O-thiophosphono-alpha-D-arabinofuranose
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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