Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 5XU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H7NO/c1-3(4)2-5/h2-3H,4H2,1H3/t3-/m0/s1
2 InChIKey InChI 1.03 QPMCUNAXNMSGTK-VKHMYHEASA-N
3 SMILES CACTVS 3.385 C[CH](N)C=O
4 SMILES OpenEye OEToolkits 2.0.4 CC(C=O)N
5 Canonical SMILES CACTVS 3.385 C[C@H](N)C=O
6 Canonical SMILES OpenEye OEToolkits 2.0.4 C[C@@H](C=O)N