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BioLiP

PDB CCD ID: 1LK
Number of entries in BioLiP: 2
Chemical formula: C5 H11 F O9 P2
InChI: InChI=1S/C5H11FO9P2/c6-3-1-13-4(5(3)7)2-14-17(11,12)15-16(8,9)10/h3-5,7H,1-2H2,(H,11,12)(H2,8,9,10)/t3-,4-,5+/m1/s1
InChIKey: JLUFHMADAUUBBV-WDCZJNDASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[CH]1[CH](F)CO[CH]1CO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 2.0.7C1C(C(C(O1)COP(=O)(O)OP(=O)(O)O)O)F
OpenEye OEToolkits 2.0.7C1[C@H]([C@@H]([C@H](O1)COP(=O)(O)OP(=O)(O)O)O)F
ACDLabs 12.01OC1C(COP(=O)(O)OP(=O)(O)O)OCC1F
CACTVS 3.385O[C@H]1[C@H](F)CO[C@@H]1CO[P](O)(=O)O[P](O)(O)=O
Name:1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol
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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