Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TRI    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
2 InChIKey InChI 1.03 NSPMIYGKQJPBQR-UHFFFAOYSA-N
3 SMILES ACDLabs 10.04 n1ncnc1
4 SMILES CACTVS 3.341 [nH]1cnnc1
5 SMILES OpenEye OEToolkits 1.5.0 c1[nH]cnn1
6 Canonical SMILES CACTVS 3.341 [nH]1cnnc1
7 Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH]cnn1