Chemical Components in the PDB

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  • 4N2 (Stereoisomer)
  • GLC (Stereoisomer)
  • GLA (Stereoisomer)
  • Z8H (Stereoisomer)
  • Z2D (Stereoisomer)
  • WOO (Stereoisomer)
  • 4GL (Stereoisomer)
  • Z0F (Stereoisomer)
  • MAN (Stereoisomer)
  • 3MK (Stereoisomer)
  • ZCD (Stereoisomer)
  • AFD (Stereoisomer)
  • BGC (Stereoisomer)
  • GUP (Stereoisomer)
  • GL0 (Stereoisomer)
  • ZEE (Stereoisomer)
  • BMA (Stereoisomer)
  • GIV (Stereoisomer)
  • Z6H (Stereoisomer)
  • ALL (Stereoisomer)
  • GXL (Stereoisomer)
  • Z8T (Stereoisomer)
  • GAL (Stereoisomer)
  • SDY (Stereoisomer)
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PDBeChem : Molecule Descriptors

 Molecule : SHD    

Encodings of molecule in descriptor strings

RecordNameProgramVersionName
1 InChI InChI 1.03 InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5+,6+/m1/s1
2 InChIKey InChI 1.03 WQZGKKKJIJFFOK-TVIMKVIFSA-N
3 SMILES ACDLabs 10.04 OC1C(O)C(OC(O)C1O)CO
4 SMILES CACTVS 3.341 OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
5 SMILES OpenEye OEToolkits 1.5.0 C(C1C(C(C(C(O1)O)O)O)O)O
6 Canonical SMILES CACTVS 3.341 OC[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)O