Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TRS    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
2 InChIKey InChI 1.03 LENZDBCJOHFCAS-UHFFFAOYSA-O
3 SMILES ACDLabs 10.04 OCC([NH3+])(CO)CO
4 SMILES CACTVS 3.341 [NH3+]C(CO)(CO)CO
5 SMILES OpenEye OEToolkits 1.5.0 C(C(CO)(CO)[NH3+])O
6 Canonical SMILES CACTVS 3.341 [NH3+]C(CO)(CO)CO
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(CO)(CO)[NH3+])O