Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : 3DY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H10O5/c7-3-2-1-10-5(3)4(8)6(9)11-2/h2-9H,1H2/t2-,3+,4-,5+,6-/m0/s1
2 InChIKey InChI 1.03 DCQFFOLNJVGHLW-ZSNZIGRDSA-N
3 SMILES ACDLabs 12.01 OC2OC1C(O)C(OC1)C2O
4 SMILES CACTVS 3.385 O[CH]1O[CH]2CO[CH]([CH]1O)[CH]2O
5 SMILES OpenEye OEToolkits 1.7.6 C1C2C(C(O1)C(C(O2)O)O)O
6 Canonical SMILES CACTVS 3.385 O[C@H]1O[C@H]2CO[C@@H]([C@@H]1O)[C@@H]2O
7 Canonical SMILES OpenEye OEToolkits 1.7.6 C1[C@H]2[C@H]([C@@H](O1)[C@@H]([C@H](O2)O)O)O