Chemical Components in the PDB

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HGB : Summary

Code

HGB

One-letter code

X

Molecule name

4-(HYDROXYMERCURY)BENZOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (4-carboxyphenyl)(hydroxy)mercury
OpenEye OEToolkits 1.5.0 (4-carboxyphenyl)-hydroxy-mercury

Formula

C7 H6 Hg O3

Formal charge

0

Molecular weight

338.711 Da

SMILES

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

IUPAC InChI

InChI=1S/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1

IUPAC InChI key

WMHRYLDWLOGHSG-UHFFFAOYSA-M
HGB

wwPDB Information

Atom count

17 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-09-28

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned