Chemical Components in the PDB

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MAC : Summary

Code

MAC

One-letter code

X

Molecule name

MERCURY ACETATE ION

Systematic names

ProgramVersionName
ACDLabs 10.04 (acetato-kappaO)mercury(1+)
OpenEye OEToolkits 1.5.0 acetyloxymercury

Formula

C2 H3 Hg O2

Formal charge

1

Molecular weight

259.634 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 [Hg+]OC(=O)C
SMILES CACTVS 3.341 CC(=O)O[Hg+]
SMILES OpenEye OEToolkits 1.5.0 CC(=O)O[Hg+]
Canonical SMILES CACTVS 3.341 CC(=O)O[Hg+]
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)O[Hg+]

IUPAC InChI

InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+2/p-1

IUPAC InChI key

QWSOAYZXYZDDPB-UHFFFAOYSA-M
MAC

wwPDB Information

Atom count

8 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned