Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

PDBeChem : Molecule Descriptors

 Molecule : RXK    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
2 InChIKey InChI 1.03 NZNMSOFKMUBTKW-UHFFFAOYSA-N
3 SMILES CACTVS 3.385 OC(=O)C1CCCCC1
4 SMILES OpenEye OEToolkits 2.0.7 C1CCC(CC1)C(=O)O
5 Canonical SMILES CACTVS 3.385 OC(=O)C1CCCCC1
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C1CCC(CC1)C(=O)O