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BioLiP

PDB CCD ID: FFF
Number of entries in BioLiP: 1
Chemical formula: C15 H25 F3 O7 P2
InChI: InChI=1S/C15H25F3O7P2/c1-12(2)6-4-7-13(3)8-5-9-14(15(16,17)18)10-11-24-27(22,23)25-26(19,20)21/h6,8,10H,4-5,7,9,11H2,1-3H3,(H,22,23)(H2,19,20,21)/b13-8+,14-10-
InChIKey: PXLMLAFPAPGGKK-GVCYOOEQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)=CCCC(C)=CCCC(=CCO[P](O)(=O)O[P](O)(O)=O)C(F)(F)F
CACTVS 3.341CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](O)(=O)O[P](O)(O)=O)C(F)(F)F
OpenEye OEToolkits 1.5.0CC(=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O)O)/C(F)(F)F)/C)C
OpenEye OEToolkits 1.5.0CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C(F)(F)F)C)C
ACDLabs 10.04FC(F)(F)/C(=C\COP(=O)(OP(=O)(O)O)O)CC\C=C(/C)CC\C=C(/C)C
Name:TRIFLUOROFURNESYL DIPHOSPHATE
DrugBank: DB02808
ZINC: ZINC000002047050
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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