BioLiP

PDB

BioLiP

PDB CCD ID:

F5C

Number of entries in BioLiP:

Chemical formula:

C9 H3 F5 O2

InChI:

InChI=1S/C9H3F5O2/c10-5-3(1-2-4(15)16)6(11)8(13)9(14)7(5)12/h1-2H,(H,15,16)/b2-1+

InChIKey:

IUUKDBLGVZISGW-OWOJBTEDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	C(=CC(=O)O)c1c(c(c(c(c1F)F)F)F)F
CACTVS 3.385	OC(=O)C=Cc1c(F)c(F)c(F)c(F)c1F
OpenEye OEToolkits 1.9.2	C(=C/C(=O)O)\c1c(c(c(c(c1F)F)F)F)F
CACTVS 3.385	OC(=O)\C=C\c1c(F)c(F)c(F)c(F)c1F
ACDLabs 12.01	[C@H](=Cc1c(F)c(F)c(c(c1F)F)F)C(O)=O

Name:

penta-fluorocinnamic acid

ZINC:

ZINC000012342729

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).