Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : KGH    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H15NO5/c8-3-2(1-9)4(10)6(12)7(13)5(3)11/h2-7,9-13H,1,8H2/t2-,3-,4+,5+,6-,7+/m0/s1
2 InChIKey InChI 1.03 SWVTZDDSAFUTKS-BJUQCWQQSA-N
3 SMILES CACTVS 3.385 N[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1CO
4 SMILES OpenEye OEToolkits 2.0.7 C(C1C(C(C(C(C1O)O)O)O)N)O
5 Canonical SMILES CACTVS 3.385 N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@H]1[C@@H]([C@H]([C@H]([C@H]([C@@H]1O)O)O)O)N)O