Chemical Components in the PDB

pdbe.org/chem
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  • 0MK (Stereoisomer)
  • ARA (Stereoisomer)
  • ARB (Stereoisomer)
  • LXC (Stereoisomer)
  • LDY (Stereoisomer)
  • RIP (Stereoisomer)
  • XYP (Stereoisomer)
  • XYS (Stereoisomer)

PDBeChem : Molecule Descriptors

 Molecule : HSY    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m0/s1
2 InChIKey InChI 1.03 SRBFZHDQGSBBOR-SKNVOMKLSA-N
3 SMILES ACDLabs 12.01 OC1C(O)COC(O)C1O
4 SMILES CACTVS 3.370 O[CH]1CO[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.7.0 C1C(C(C(C(O1)O)O)O)O
6 Canonical SMILES CACTVS 3.370 O[C@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 1.7.0 C1[C@@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O