BioLiP

PDB

BioLiP

PDB CCD ID:

F3P

Number of entries in BioLiP:

Chemical formula:

C10 H19 F O7 P2

InChI:

InChI=1S/C10H19FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h6H,3,5,7H2,1-2,4H3,(H,15,16)(H2,12,13,14)/t10-/m0/s1

InChIKey:

UEWCETXFDYIXPA-JTQLQIEISA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(C)=CCC[C@](C)(O[P](O)(=O)O[P](O)(O)=O)C(F)=C
OpenEye OEToolkits 3.1.0.0	CC(=CCCC(C)(C(=C)F)OP(=O)(O)OP(=O)(O)O)C
OpenEye OEToolkits 3.1.0.0	CC(=CCC[C@@](C)(C(=C)F)O[P@@](=O)(O)OP(=O)(O)O)C
CACTVS 3.385	CC(C)=CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)C(F)=C
ACDLabs 14.52	O=P(O)(O)OP(O)(=O)OC(C)(CC\C=C(/C)C)C(=C)F

Name:

(3S)-2-fluoro-3,7-dimethylocta-1,6-dien-3-yl trihydrogen diphosphate;
2-FLUOROLINALYL 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).