Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : A1H10    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3-,4+,6+/m0/s1
2 InChIKey InChI 1.06 COJBCAMFZDFGFK-AZLKCVHYSA-N
3 SMILES CACTVS 3.385 O[CH]1O[CH]([CH](O)[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
4 SMILES OpenEye OEToolkits 2.0.7 C1(C(C(OC(C1OS(=O)(=O)O)O)C(=O)O)O)O
5 Canonical SMILES CACTVS 3.385 O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[S](O)(=O)=O)C(O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 [C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1OS(=O)(=O)O)O)C(=O)O)O)O