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 : HSE

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1
2	InChIKey	InChI	1.03	UKAUYVFTDYCKQA-VKHMYHEASA-N
3	SMILES	ACDLabs	10.04	O=C(O)C(N)CCO
4	SMILES	CACTVS	3.341	N[CH](CCO)C(O)=O
5	SMILES	OpenEye OEToolkits	1.5.0	C(CO)C(C(=O)O)N
6	Canonical SMILES	CACTVS	3.341	N[C@@H](CCO)C(O)=O
7	Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CO)[C@@H](C(=O)O)N