Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ETA    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2
2 InChIKey InChI 1.03 HZAXFHJVJLSVMW-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 OCCN
4 SMILES CACTVS 3.370 NCCO
5 SMILES OpenEye OEToolkits 1.7.0 C(CO)N
6 Canonical SMILES CACTVS 3.370 NCCO
7 Canonical SMILES OpenEye OEToolkits 1.7.0 C(CO)N