Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : GCN    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H13NO4/c7-3-1-4(9)5(2-8)11-6(3)10/h3-6,8-10H,1-2,7H2/t3-,4+,5-,6+/m1/s1
2 InChIKey InChI 1.03 SNDZDGQLFKEBLF-MOJAZDJTSA-N
3 SMILES ACDLabs 10.04 OC1C(OC(O)C(N)C1)CO
4 SMILES CACTVS 3.341 N[CH]1C[CH](O)[CH](CO)O[CH]1O
5 SMILES OpenEye OEToolkits 1.5.0 C1C(C(OC(C1O)CO)O)N
6 Canonical SMILES CACTVS 3.341 N[C@@H]1C[C@H](O)[C@@H](CO)O[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N