BioLiP

PDB

BioLiP

PDB CCD ID:

MWG

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	C[C@](CCC=C(CF)CF)(O[P](O)(=O)O[P](O)(O)=O)C=C
OpenEye OEToolkits 2.0.7	C[C@@](CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O
ACDLabs 12.01	C=C/C(C)(CC\C=C(/CF)CF)OP(=O)(O)OP(O)(O)=O
OpenEye OEToolkits 2.0.7	CC(CCC=C(CF)CF)(C=C)OP(=O)(O)OP(=O)(O)O
CACTVS 3.385	C[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, Lydia 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).