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BioLiP Library

PDB CCD ID: P4F
Number of entries in BioLiP: 2
Chemical formula: C5 H8 F2 N O6 P
InChI: InChI=1S/C5H8F2NO6P/c6-5(7,15(12,13)14)3(9)1-2(8)4(10)11/h2H,1,8H2,(H,10,11)(H2,12,13,14)/t2-/m1/s1
InChIKey: WIAFNWXXJIHDPS-UWTATZPHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O
CACTVS 3.370N[C@H](CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
ACDLabs 12.01O=C(C(F)(F)P(=O)(O)O)CC(C(=O)O)N
CACTVS 3.370N[CH](CC(=O)C(F)(F)[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0C(C(C(=O)O)N)C(=O)C(F)(F)P(=O)(O)O
Name:5,5-difluoro-4-oxo-5-phosphono-D-norvaline
ZINC: ZINC000098209286
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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