Chemical Components in the PDB

pdbe.org/chem
spacer

PDBeChem : Molecule Descriptors

 Molecule : LNR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/t8-/m0/s1
2 InChIKey InChI 1.03 SFLSHLFXELFNJZ-QMMMGPOBSA-N
3 SMILES ACDLabs 12.01 Oc1ccc(cc1O)C(O)CN
4 SMILES CACTVS 3.370 NC[CH](O)c1ccc(O)c(O)c1
5 SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1C(CN)O)O)O
6 Canonical SMILES CACTVS 3.370 NC[C@H](O)c1ccc(O)c(O)c1
7 Canonical SMILES OpenEye OEToolkits 1.7.6 c1cc(c(cc1[C@H](CN)O)O)O