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BioLiP

PDB CCD ID: 2CF
Number of entries in BioLiP: 3
Chemical formula: C15 H27 F O7 P2
InChI: InChI=1S/C15H27FO7P2/c1-12(2)7-5-8-13(3)9-6-10-14(4)15(16)11-22-25(20,21)23-24(17,18)19/h7,9H,5-6,8,10-11H2,1-4H3,(H,20,21)(H2,17,18,19)/b13-9+,15-14+
InChIKey: DXHJZCKJWKWTCH-BBXOWAOSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](O)(=O)O[P](O)(O)=O
ACDLabs 12.01O=P(O)(O)OP(=O)(OCC(/F)=C(/C)CC\C=C(/C)CC\C=C(/C)C)O
OpenEye OEToolkits 1.7.0CC(=CCCC(=CCCC(=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C
CACTVS 3.370CC(C)=CCC/C(C)=C/CC\C(C)=C(\F)CO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.7.0CC(=CCC/C(=C/CC/C(=C(\CO[P@@](=O)(O)OP(=O)(O)O)/F)/C)/C)C
Name:(2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate
ZINC: ZINC000058638373
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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