Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : SAT    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H4O5S/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H,5,6,7)
2 InChIKey InChI 1.03 AGGIJOLULBJGTQ-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 O=C(O)CS(=O)(=O)O
4 SMILES CACTVS 3.341 OC(=O)C[S](O)(=O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)S(=O)(=O)O
6 Canonical SMILES CACTVS 3.341 OC(=O)C[S](O)(=O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)O)S(=O)(=O)O