Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : LXP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1
2 InChIKey InChI 1.03 VJDOAZKNBQCAGE-WISUUJSJSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)OCC(O)C(O)C(O)CO
4 SMILES CACTVS 3.341 OC[CH](O)[CH](O)[CH](O)CO[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(COP(=O)(O)O)O)O)O)O
6 Canonical SMILES CACTVS 3.341 OC[C@@H](O)[C@H](O)[C@@H](O)CO[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O