Chemical Components in the PDB

pdbe.org/chem
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  • AHR (Stereoisomer)
  • BDR (Stereoisomer)
  • FUB (Stereoisomer)
  • 32O (Stereoisomer)
  • Z6J (Stereoisomer)
  • BXX (Stereoisomer)
  • XYZ (Stereoisomer)
  • BXY (Stereoisomer)

PDBeChem : Molecule Descriptors

 Molecule : RIB    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
2 InChIKey InChI 1.03 HMFHBZSHGGEWLO-AIHAYLRMSA-N
3 SMILES ACDLabs 10.04 OC1C(OC(O)C1O)CO
4 SMILES CACTVS 3.341 OC[CH]1O[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(O1)O)O)O)O
6 Canonical SMILES CACTVS 3.341 OC[C@H]1O[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](O1)O)O)O)O