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BioLiP

PDB CCD ID: L6N
Number of entries in BioLiP: 3
Chemical formula: C7 H14 O6
InChI: InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
InChIKey: QWJKEQVWXSYDJA-XUUWZHRGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7COCC1C(C(C(C(O1)O)O)O)O
CACTVS 3.385COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.7COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.385COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
Name:(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol
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).
  • 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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