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BioLiP

PDB CCD ID: GRX
Number of entries in BioLiP: 2
Chemical formula: C7 H14 F O8 P
InChI: InChI=1S/C7H14FO8P/c8-7(17(13,14)15)6-5(12)4(11)3(10)2(1-9)16-6/h2-7,9-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6-,7+/m1/s1
InChIKey: BUPRWODHUABASJ-GEGSFZHJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C@@H](F)P(=O)(O)O)O)O)O)O
CACTVS 3.385OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)[C@@H](F)[P](O)(O)=O
OpenEye OEToolkits 1.9.2C(C1C(C(C(C(O1)C(F)P(=O)(O)O)O)O)O)O
CACTVS 3.385OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)[CH](F)[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)C(F)C1OC(C(O)C(O)C1O)CO
Name:(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol;
(S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose
ZINC: ZINC000098208969
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).
  • 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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