BioLiP

PDB

BioLiP

PDB CCD ID:

7FA

Number of entries in BioLiP:

Chemical formula:

C19 H34 F O2 P

InChI:

InChI=1S/C19H34FO2P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(20,21)22-2/h7-8,10-11,13-14H,3-6,9,12,15-19H2,1-2H3/b8-7?,11-10-,14-13-/t23-/m1/s1

InChIKey:

PYIHGLSRUVHCML-YMLCEXCJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCCCC=CCC=CCC=CCCCCC[P](F)(=O)OC
OpenEye OEToolkits 2.0.4	CCCCCC=CC/C=C\C/C=C\CCCCC[P@@](=O)(OC)F
CACTVS 3.385	CCCCC\C=C/C/C=C\C\C=C/CCCCC[P@@](F)(=O)OC
OpenEye OEToolkits 2.0.4	CCCCCC=CCC=CCC=CCCCCCP(=O)(OC)F
ACDLabs 12.01	C(CCCC\C=C/C\C=C/C\C=C/CCCCC)P(F)(OC)=O

Name:

methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-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).