BioLiP

PDB

BioLiP

PDB CCD ID:

FTK

Number of entries in BioLiP:

Chemical formula:

C12 H9 F3 O3

InChI:

InChI=1S/C12H9F3O3/c13-12(14,15)11(18)7-9(16)6-10(17)8-4-2-1-3-5-8/h1-5H,6-7H2

InChIKey:

GWSILFLOKNCPNX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	FC(F)(F)C(=O)CC(=O)CC(=O)c1ccccc1
OpenEye OEToolkits 1.7.6	c1ccc(cc1)C(=O)CC(=O)CC(=O)C(F)(F)F
ACDLabs 12.01	O=C(c1ccccc1)CC(=O)CC(=O)C(F)(F)F

Name:

6,6,6-trifluoro-1-phenylhexane-1,3,5-trione

ZINC:

ZINC000103542035

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).