Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : RAH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H13O11PS/c7-4-3(1-19(13,14)15)17-6(9,5(4)8)2-16-18(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H,13,14,15)/t3-,4-,5+,6-/m1/s1
2 InChIKey InChI 1.03 IZVMCURFIBVEOJ-ARQDHWQXSA-N
3 SMILES CACTVS 3.385 O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O
4 SMILES OpenEye OEToolkits 2.0.7 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O
5 Canonical SMILES CACTVS 3.385 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1C[S](O)(=O)=O
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)S(=O)(=O)O