BioLiP

PDB

BioLiP

PDB CCD ID:

4E0

Number of entries in BioLiP:

Chemical formula:

C20 H42 F O2 P

InChI:

InChI=1S/C20H42FO2P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-24(21,22)20-6-4-2/h3-20H2,1-2H3/t24-/m0/s1

InChIKey:

CEGMKNGDPAYRIN-DEOSSOPVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCCCCCCCCCCCCCCOP(=O)(CCCC)F
CACTVS 3.385	CCCCCCCCCCCCCCCCO[P@@](F)(=O)CCCC
CACTVS 3.385	CCCCCCCCCCCCCCCCO[P](F)(=O)CCCC

Name:

1-[butyl(fluoranyl)phosphoryl]oxyhexadecane

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).