Protein Data Bank
in Europe

Bringing Structure to Biology

pdbe.org/chem

Download Links

Related compounds

Could not find any related compound in the PDB.

3D-Views

PDB Links

Molecule : QG6

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C16H28O4/c1-3-7-12(2)8-6-11-20-16(19)14-10-5-4-9-13(14)15(17)18/h12-14H,3-11H2,1-2H3,(H,17,18)/t12-,13+,14-/m1/s1
2	InChIKey	InChI	1.06	LIIPZKBBDLBJSA-HZSPNIEDSA-N
3	SMILES	CACTVS	3.385	CCC[CH](C)CCCOC(=O)[CH]1CCCC[CH]1C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.7	CCCC(C)CCCOC(=O)C1CCCCC1C(=O)O
5	Canonical SMILES	CACTVS	3.385	CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC[C@@H](C)CCCOC(=O)[C@@H]1CCCC[C@@H]1C(=O)O