BioLiP

PDB

BioLiP

PDB CCD ID:

W6Z

Number of entries in BioLiP:

Chemical formula:

C3 H5 F3 O2

InChI:

InChI=1S/C3H5F3O2/c1-2(7,8)3(4,5)6/h7-8H,1H3

InChIKey:

BQAKXJSYMYZORI-UHFFFAOYSA-N

SMILES:

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

Name:

1,1,1-tris(fluoranyl)propane-2,2-diol

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).