Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 3GR    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m0/s1
2 InChIKey InChI 1.03 MNQZXJOMYWMBOU-VKHMYHEASA-N
3 SMILES ACDLabs 12.01 C(O)C(O)C=O
4 SMILES CACTVS 3.385 OC[CH](O)C=O
5 SMILES OpenEye OEToolkits 2.0.7 C(C(C=O)O)O
6 Canonical SMILES CACTVS 3.385 OC[C@@H](O)C=O
7 Canonical SMILES OpenEye OEToolkits 2.0.7 C([C@H](C=O)O)O