BioLiP

PDB

BioLiP

PDB CCD ID:

BE7

Number of entries in BioLiP:

Chemical formula:

C7 H5 Cl Hg O2

InChI:

InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1

InChIKey:

YFZOUMNUDGGHIW-UHFFFAOYSA-M

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c1ccc([Hg]Cl)cc1
CACTVS 3.341	OC(=O)c1ccc([Hg]Cl)cc1
OpenEye OEToolkits 1.5.0	c1cc(ccc1C(=O)O)[Hg]Cl

Name:

(4-CARBOXYPHENYL)(CHLORO)MERCURY;
P-CHLOROMERCURIBENZOIC ACID;
(4-carboxyphenyl)-chloranyl-mercury

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).