Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 3SS    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)
2 InChIKey InChI 1.03 CXXDUKKBFUFJDF-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 O=C(O)CCSS
4 SMILES CACTVS 3.370 OC(=O)CCSS
5 SMILES OpenEye OEToolkits 1.7.6 C(CSS)C(=O)O
6 Canonical SMILES CACTVS 3.370 OC(=O)CCSS
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C(CSS)C(=O)O