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 : VOL

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
2	InChIKey	InChI	1.03	NWYYWIJOWOLJNR-RXMQYKEDSA-N
3	SMILES	ACDLabs	10.04	OCC(N)C(C)C
4	SMILES	CACTVS	3.341	CC(C)[CH](N)CO
5	SMILES	OpenEye OEToolkits	1.5.0	CC(C)C(CO)N
6	Canonical SMILES	CACTVS	3.341	CC(C)[C@H](N)CO
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	CC(C)[C@@H](CO)N