BioLiP

PDB

BioLiP

PDB CCD ID:

GJY

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/h4-5,7-8,10-11H,3,6,9,12-19H2,1-2H3/b5-4-,8-7-,11-10-/t23-/m0/s1

InChIKey:

MEHJVKGETWKOKY-SINQZMEQSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CCC=CCC=CCC=CCCCCCCCCP(=O)(OC)F
CACTVS 3.385	CCC=CCC=CCC=CCCCCCCCC[P](F)(=O)OC
CACTVS 3.385	CC\C=C/C/C=C\C\C=C/CCCCCCCC[P@](F)(=O)OC
ACDLabs 12.01	O=P(OC)(F)CCCCCCCC\C=C/C\C=C/C[C@H]=[C@H]CC
OpenEye OEToolkits 2.0.6	CC/C=C\C/C=C\C/C=C\CCCCCCCC[P@](=O)(OC)F

Name:

methyl-9Z,12Z,15Z-octadecatrienylphosphonofluoridate;
Methyl alpha-Linolenyl Fluorophosphonate (MLnFP)

ZINC:

ZINC000064858374

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).