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 : 0A6

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C6H10O5/c1-2-11-6(10)4(7)3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m1/s1
2	InChIKey	InChI	1.03	FHHFKGGCXNOIAY-SCSAIBSYSA-N
3	SMILES	ACDLabs	10.04	O=C(O)CC(O)C(=O)OCC
4	SMILES	CACTVS	3.341	CCOC(=O)[CH](O)CC(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)C(CC(=O)O)O
6	Canonical SMILES	CACTVS	3.341	CCOC(=O)[C@H](O)CC(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	CCOC(=O)[C@@H](CC(=O)O)O