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 : MEV

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)/p-1/t6-/m1/s1
2	InChIKey	InChI	1.03	KJTLQQUUPVSXIM-ZCFIWIBFSA-M
3	SMILES	ACDLabs	10.04	O=C([O-])CC(O)(C)CCO
4	SMILES	CACTVS	3.341	C[C](O)(CCO)CC([O-])=O
5	SMILES	OpenEye OEToolkits	1.5.0	CC(CCO)(CC(=O)[O-])O
6	Canonical SMILES	CACTVS	3.341	C[C@@](O)(CCO)CC([O-])=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@](CCO)(CC(=O)[O-])O