Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : TA6    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1
2 InChIKey InChI 1.03 BGWGXPAPYGQALX-DPYQTVNSSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
4 SMILES CACTVS 3.341 OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)(CO)O)O)O)OP(=O)(O)O
6 Canonical SMILES CACTVS 3.341 OC[C@@]1(O)O[C@H](CO[P](O)(O)=O)[C@H](O)[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@@H]([C@@H]([C@](O1)(CO)O)O)O)OP(=O)(O)O