Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 1KH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H13AsO8/c7-2(1-6(12,13)14)3(8)4(9)5(10)11/h2-5,7-11H,1H2,(H2,12,13,14)/t2-,3+,4-/m1/s1
2 InChIKey InChI 1.03 MSQKZAOQSOMILW-FLRLBIABSA-N
3 SMILES CACTVS 3.370 OC(O)[CH](O)[CH](O)[CH](O)C[As](O)(O)=O
4 SMILES OpenEye OEToolkits 1.7.6 C(C(C(C(C(O)O)O)O)O)[As](=O)(O)O
5 Canonical SMILES CACTVS 3.370 OC(O)[C@H](O)[C@@H](O)[C@H](O)C[As](O)(O)=O
6 Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@H]([C@@H]([C@H](C(O)O)O)O)O)[As](=O)(O)O