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 : 08P

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1
2	InChIKey	InChI	1.03	JOFZGZRXVKSFKN-UWTATZPHSA-N
3	SMILES	ACDLabs	12.01	O=C(C(=O)O)NC(C(=O)O)CS
4	SMILES	CACTVS	3.370	OC(=O)[CH](CS)NC(=O)C(O)=O
5	SMILES	OpenEye OEToolkits	1.7.2	C(C(C(=O)O)NC(=O)C(=O)O)S
6	Canonical SMILES	CACTVS	3.370	OC(=O)[C@@H](CS)NC(=O)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.7.2	C([C@H](C(=O)O)NC(=O)C(=O)O)S