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 : TRD

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
2	InChIKey	InChI	1.03	IIYFAKIEWZDVMP-UHFFFAOYSA-N
3	SMILES	ACDLabs	10.04	C(CCCCCCCC)CCCC
4	SMILES	CACTVS	3.341	CCCCCCCCCCCCC
5	SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCC
6	Canonical SMILES	CACTVS	3.341	CCCCCCCCCCCCC
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCCCC