Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : DLT    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H16FNO2/c1-10(2,7-5-9)6-3-4-8(11)12/h3-7H2,1-2H3/p+1
2 InChIKey InChI 1.03 QDYMCFLCMGVGMD-UHFFFAOYSA-O
3 SMILES ACDLabs 12.01 O=C(O)CCC[N+](C)(C)CCF
4 SMILES CACTVS 3.385 C[N+](C)(CCF)CCCC(O)=O
5 SMILES OpenEye OEToolkits 1.9.2 C[N+](C)(CCCC(=O)O)CCF
6 Canonical SMILES CACTVS 3.385 C[N+](C)(CCF)CCCC(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.9.2 C[N+](C)(CCCC(=O)O)CCF