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 : OR6

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.06	InChI=1S/C9H14O4/c1-3-4-5-7(9(12)13)6(2)8(10)11/h7H,2-5H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
2	InChIKey	InChI	1.06	ULDVOPUXMRCBDH-ZETCQYMHSA-N
3	SMILES	CACTVS	3.385	CCCC[CH](C(O)=O)C(=C)C(O)=O
4	SMILES	OpenEye OEToolkits	2.0.7	CCCCC(C(=C)C(=O)O)C(=O)O
5	Canonical SMILES	CACTVS	3.385	CCCC[C@H](C(O)=O)C(=C)C(O)=O
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	CCCC[C@@H](C(=C)C(=O)O)C(=O)O