Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : F6U    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C11H17N6O6P/c1-6(23-24(20,21)22)7(3-18)16-8(19)2-17-5-15-9-10(12)13-4-14-11(9)17/h4-7,18H,2-3H2,1H3,(H,16,19)(H2,12,13,14)(H2,20,21,22)/t6-,7-/m1/s1
2 InChIKey InChI 1.03 USXONNDLXUHCOD-RNFRBKRXSA-N
3 SMILES CACTVS 3.385 C[CH](O[P](O)(O)=O)[CH](CO)NC(=O)Cn1cnc2c(N)ncnc12
4 SMILES OpenEye OEToolkits 2.0.7 CC(C(CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O
5 Canonical SMILES CACTVS 3.385 C[C@@H](O[P](O)(O)=O)[C@@H](CO)NC(=O)Cn1cnc2c(N)ncnc12
6 Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H]([C@@H](CO)NC(=O)Cn1cnc2c1ncnc2N)OP(=O)(O)O