BioLiP

PDB

BioLiP

PDB CCD ID:

XHB

Number of entries in BioLiP:

Chemical formula:

C7 H3 F3 O

InChI:

InChI=1S/C7H3F3O/c8-4-1-6(9)5(3-11)7(10)2-4/h1-3H

InChIKey:

KPJIEPBITZLHPQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1cc(F)c(C=O)c(F)c1
ACDLabs 12.01	O=Cc1c(F)cc(F)cc1F
OpenEye OEToolkits 2.0.7	c1c(cc(c(c1F)C=O)F)F

Name:

2,4,6-trifluorobenzaldehyde

ZINC:

ZINC000004290144

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).