BioLiP

PDB

BioLiP

PDB CCD ID:

IEF

Number of entries in BioLiP:

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:

Software	SMILES
OpenEye OEToolkits 1.9.2	CC(C)OP(=O)(CCCCCCCCCCCC=C)F
CACTVS 3.385	CC(C)O[P](F)(=O)CCCCCCCCCCCC=C
CACTVS 3.385	CC(C)O[P@](F)(=O)CCCCCCCCCCCC=C
OpenEye OEToolkits 1.9.2	CC(C)O[P@](=O)(CCCCCCCCCCCC=C)F
ACDLabs 12.01	FP(=O)(OC(C)C)CCCCCCCCCCC\C=C

Name:

propan-2-yl (R)-tridec-12-en-1-ylphosphonofluoridate

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).