Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : UEG    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
2 InChIKey InChI 1.03 LXNHXLLTXMVWPM-UHFFFAOYSA-N
3 SMILES ACDLabs 12.01 Oc1c(c(cnc1C)CO)CO
4 SMILES CACTVS 3.385 Cc1ncc(CO)c(CO)c1O
5 SMILES OpenEye OEToolkits 1.9.2 Cc1c(c(c(cn1)CO)CO)O
6 Canonical SMILES CACTVS 3.385 Cc1ncc(CO)c(CO)c1O
7 Canonical SMILES OpenEye OEToolkits 1.9.2 Cc1c(c(c(cn1)CO)CO)O