BioLiP

PDB

BioLiP

PDB CCD ID:

W6X

Number of entries in BioLiP:

Chemical formula:

C3 H3 F3 O

InChI:

InChI=1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3

InChIKey:

FHUDAMLDXFJHJE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)C(F)(F)F

Name:

1,1,1-tris(fluoranyl)propan-2-one

ZINC:

ZINC000001693867

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).