Chemical Components in the PDB

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PDBeChem : Molecule Descriptors

 Molecule : FBP    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5+,6-/m1/s1
2 InChIKey InChI 1.03 RNBGYGVWRKECFJ-ARQDHWQXSA-N
3 SMILES ACDLabs 10.04 O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
4 SMILES CACTVS 3.341 O[CH]1[CH](O)[C](O)(CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O
5 SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O
6 Canonical SMILES CACTVS 3.341 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[C@@H]1CO[P](O)(O)=O
7 Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O