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BioLiP

PDB CCD ID: MWG
Number of entries in BioLiP: 1
Chemical formula: C10 H18 F2 O7 P2
InChI: InChI=1S/C10H18F2O7P2/c1-3-10(2,6-4-5-9(7-11)8-12)18-21(16,17)19-20(13,14)15/h3,5H,1,4,6-8H2,2H3,(H,16,17)(H2,13,14,15)/t10-/m0/s1
InChIKey: POYBZGMZDXIMIL-JTQLQIEISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@](CCC=C(CF)CF)(O[P](O)(=O)O[P](O)(O)=O)C=C
OpenEye OEToolkits 2.0.7C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O
ACDLabs 12.01C=C/C(C)(CC\C=C(/CF)CF)OP(=O)(O)OP(O)(O)=O
OpenEye OEToolkits 2.0.7CC(CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O
CACTVS 3.385C[C](CCC=C(CF)CF)(O[P](O)(=O)O[P](O)(O)=O)C=C
Name:(3R)-8-fluoro-7-(fluoromethyl)-3-methylocta-1,6-dien-3-yl trihydrogen diphosphate
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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