BioLiP

PDB

BioLiP

PDB CCD ID:

FHC

Number of entries in BioLiP:

Chemical formula:

C9 H6 F O3

InChI:

InChI=1S/C9H7FO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-5,11H,(H,12,13)/p-1/b8-5+

InChIKey:

SBIZDOWXYPNTOJ-VMPITWQZSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1cc(ccc1\C=C(/C(=O)[O-])\F)O
ACDLabs 10.04	[O-]C(=O)C(/F)=C\c1ccc(O)cc1
CACTVS 3.341	Oc1ccc(cc1)\C=C(F)/C([O-])=O
CACTVS 3.341	Oc1ccc(cc1)C=C(F)C([O-])=O
OpenEye OEToolkits 1.5.0	c1cc(ccc1C=C(C(=O)[O-])F)O

Name:

2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE;
(E)-2-FLUORO-P-HYDROXYCINNAMATE

DrugBank:

DB02384

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).