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BioLiP Library

PDB CCD ID: BE7
Number of entries in BioLiP: 0
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:
SoftwareSMILES
ACDLabs 10.04O=C(O)c1ccc([Hg]Cl)cc1
CACTVS 3.341OC(=O)c1ccc([Hg]Cl)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)O)[Hg]Cl
Name:(4-CARBOXYPHENYL)(CHLORO)MERCURY;
P-CHLOROMERCURIBENZOIC ACID;
(4-carboxyphenyl)-chloranyl-mercury
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • 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).

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