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 : TFB

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
2	InChIKey	InChI	1.03	UJJLJRQIPMGXEZ-BYPYZUCNSA-N
3	SMILES	ACDLabs	10.04	O=C(O)C1OCCC1
4	SMILES	CACTVS	3.341	OC(=O)[CH]1CCCO1
5	SMILES	OpenEye OEToolkits	1.5.0	C1CC(OC1)C(=O)O
6	Canonical SMILES	CACTVS	3.341	OC(=O)[C@@H]1CCCO1
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C1C[C@H](OC1)C(=O)O