Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : A6P    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
2 InChIKey InChI 1.03 NBSCHQHZLSJFNQ-UKFBFLRUSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
4 SMILES CACTVS 3.341 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O
6 Canonical SMILES CACTVS 3.341 O[C@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)OP(=O)(O)O