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BioLiP

PDB CCD ID: IEF
Number of entries in BioLiP: 0
Chemical formula: C16 H32 F O2 P
InChI: InChI=1S/C16H32FO2P/c1-4-5-6-7-8-9-10-11-12-13-14-15-20(17,18)19-16(2)3/h4,16H,1,5-15H2,2-3H3/t20-/m1/s1
InChIKey: IHOILKZKSINPCV-HXUWFJFHSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)OP(=O)(CCCCCCCCCCCC=C)F
CACTVS 3.385CC(C)O[P](F)(=O)CCCCCCCCCCCC=C
CACTVS 3.385CC(C)O[P@](F)(=O)CCCCCCCCCCCC=C
OpenEye OEToolkits 1.9.2CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F
ACDLabs 12.01FP(=O)(OC(C)C)CCCCCCCCCCC\C=C
Name:propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate
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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