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BioLiP

PDB CCD ID: RRY
Number of entries in BioLiP: 5
Chemical formula: C6 H10 Cl2 O4
InChI: InChI=1S/C6H10Cl2O4/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,9-11H,1-2H2/t3-,4-,5+,6-/m1/s1
InChIKey: DPQRLGLZWCGBGE-ARQDHWQXSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC1C(O)C(CCl)OC1(CCl)O
CACTVS 3.385O[CH]1[CH](O)[C](O)(CCl)O[CH]1CCl
CACTVS 3.385O[C@H]1[C@H](O)[C@@](O)(CCl)O[C@@H]1CCl
OpenEye OEToolkits 2.0.7C(C1C(C(C(O1)(CCl)O)O)O)Cl
OpenEye OEToolkits 2.0.7C([C@@H]1[C@H]([C@@H]([C@](O1)(CCl)O)O)O)Cl
Name:1,6-dichloro-1,6-dideoxy-beta-D-fructofuranose
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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