Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : MAC    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H4O2.Hg/c1-2(3)4;/h1H3,(H,3,4);/q;+2/p-1
2 InChIKey InChI 1.03 QWSOAYZXYZDDPB-UHFFFAOYSA-M
3 SMILES ACDLabs 10.04 [Hg+]OC(=O)C
4 SMILES CACTVS 3.341 CC(=O)O[Hg+]
5 SMILES OpenEye OEToolkits 1.5.0 CC(=O)O[Hg+]
6 Canonical SMILES CACTVS 3.341 CC(=O)O[Hg+]
7 Canonical SMILES OpenEye OEToolkits 1.5.0 CC(=O)O[Hg+]