Chemical Components in the PDB

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  • ARB (Stereoisomer)
  • XYP (Stereoisomer)
  • 0MK (Stereoisomer)
  • SEJ (Stereoisomer)
  • HSY (Stereoisomer)
  • YYM (Stereoisomer)
  • LDY (Stereoisomer)
  • ARA (Stereoisomer)
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  • LXC (Stereoisomer)
  • Z4W (Stereoisomer)
  • XYS (Stereoisomer)
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PDBeChem : Molecule Descriptors

 Molecule : 64K    

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+/m1/s1
2 InChIKey InChI 1.03 SRBFZHDQGSBBOR-MBMOQRBOSA-N
3 SMILES ACDLabs 12.01 OC1C(OCC(C1O)O)O
4 SMILES CACTVS 3.385 O[CH]1CO[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 2.0.4 C1C(C(C(C(O1)O)O)O)O
6 Canonical SMILES CACTVS 3.385 O[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O
7 Canonical SMILES OpenEye OEToolkits 2.0.4 C1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O)O