Chemical Components in the PDB

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  • UBO (Stereoisomer)
  • YYK (Stereoisomer)
  • FCB (Stereoisomer)
  • FCA (Stereoisomer)
  • G6D (Stereoisomer)
  • RM4 (Stereoisomer)
  • FUC (Stereoisomer)
  • XXR (Stereoisomer)
  • 66O (Stereoisomer)
  • RAM (Stereoisomer)
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PDBeChem : Molecule Descriptors

 Molecule : FUL    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6-/m0/s1
2 InChIKey InChI 1.03 SHZGCJCMOBCMKK-KGJVWPDLSA-N
3 SMILES ACDLabs 10.04 OC1C(O)C(OC(O)C1O)C
4 SMILES CACTVS 3.341 C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.5.0 CC1C(C(C(C(O1)O)O)O)O
6 Canonical SMILES CACTVS 3.341 C[C@@H]1O[C@H](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