Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : ZHE    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.06 InChI=1S/C15H27NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h10-15,17,19-20H,2-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15-/m1/s1
2 InChIKey InChI 1.06 ZYHQMRNILDNVCD-KJWHEZOQSA-N
3 SMILES ACDLabs 12.01 CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCCCC1
4 SMILES CACTVS 3.385 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC2CCCCC2
5 SMILES OpenEye OEToolkits 2.0.7 CC(=O)NC1C(C(C(OC1OCC2CCCCC2)CO)O)O
6 Canonical SMILES CACTVS 3.385 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2CCCCC2
7 Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2CCCCC2)CO)O)O