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 : 8YN

Encodings of molecule in descriptor strings

Record	Name	Program	Version	Name
1	InChI	InChI	1.03	InChI=1S/C9H14N3O7P/c10-9-11-2-4(8(14)12-9)6-1-5(13)7(19-6)3-18-20(15,16)17/h2,5-7,13H,1,3H2,(H2,15,16,17)(H3,10,11,12,14)/t5-,6+,7+/m0/s1
2	InChIKey	InChI	1.03	LMPCXRMBUOVHQD-RRKCRQDMSA-N
3	SMILES	CACTVS	3.385	NC1=NC=C([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)N1
4	SMILES	OpenEye OEToolkits	2.0.7	C1C(C(OC1C2=CN=C(NC2=O)N)COP(=O)(O)O)O
5	Canonical SMILES	CACTVS	3.385	NC1=NC=C([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N1
6	Canonical SMILES	OpenEye OEToolkits	2.0.7	C1[C@@H]([C@H](O[C@H]1C2=CN=C(NC2=O)N)COP(=O)(O)O)O