Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : MCU    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C8H14O7/c1-13-5-3(9)4(10)7(11)15-6(5)8(12)14-2/h3-7,9-11H,1-2H3/t3-,4-,5+,6+,7-/m1/s1
2 InChIKey InChI 1.03 MKGHDZIEKZPBCZ-ULQPCXBYSA-N
3 SMILES ACDLabs 12.01 O=C(OC)C1OC(O)C(O)C(O)C1OC
4 SMILES CACTVS 3.370 CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(=O)OC
5 SMILES OpenEye OEToolkits 1.7.6 COC1C(C(C(OC1C(=O)OC)O)O)O
6 Canonical SMILES CACTVS 3.370 CO[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[C@@H]1C(=O)OC
7 Canonical SMILES OpenEye OEToolkits 1.7.6 CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O)OC)O)O)O