Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FAI    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1
2 InChIKey InChI 1.03 ABCOOORLYAOBOZ-KQYNXXCUSA-N
3 SMILES ACDLabs 10.04 O=CNc1c(ncn1C2OC(C(O)C2O)COP(=O)(O)O)C(=O)N
4 SMILES CACTVS 3.341 NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c1NC=O
5 SMILES OpenEye OEToolkits 1.5.0 c1nc(c(n1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N
6 Canonical SMILES CACTVS 3.341 NC(=O)c1ncn([C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1NC=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O)NC=O)C(=O)N