Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 2H5    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
2 InChIKey InChI 1.03 BUMRBAMACDBPKO-FPRJBGLDSA-N
3 SMILES ACDLabs 12.01 FC1C(O)C(OC(O)C1O)CO
4 SMILES CACTVS 3.385 OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
5 SMILES OpenEye OEToolkits 1.7.6 C(C1C(C(C(C(O1)O)O)F)O)O
6 Canonical SMILES CACTVS 3.385 OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](F)[C@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O