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BioLiP

PDB CCD ID: LA6
Number of entries in BioLiP: 6
Chemical formula: C10 H19 F O7 P2
InChI: InChI=1S/C10H19FO7P2/c1-8(2)5-4-6-9(3)10(11)7-17-20(15,16)18-19(12,13)14/h5H,4,6-7H2,1-3H3,(H,15,16)(H2,12,13,14)/b10-9+
InChIKey: BYJNSLXDWGDGAC-MDZDMXLPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O
CACTVS 3.370CC(C)=CCCC(/C)=C(F)\CO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.6CC(=CCC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)C
OpenEye OEToolkits 1.7.6CC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C
ACDLabs 12.01O=P(O)(O)OP(=O)(OCC(/F)=C(/C)CC\C=C(/C)C)O
Name:(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate
ZINC: ZINC000013539357
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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