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BioLiP

PDB CCD ID: K3Q
Number of entries in BioLiP: 11
Chemical formula: C8 H16 O6
InChI: InChI=1S/C8H16O6/c1-12-3-4-5(9)7(13-2)6(10)8(11)14-4/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m1/s1
InChIKey: HXTJYTSBXOATMS-UIAUGNHASA-N
SMILES:
SoftwareSMILES
CACTVS 3.385COC[CH]1O[CH](O)[CH](O)[CH](OC)[CH]1O
OpenEye OEToolkits 2.0.7COC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)OC)O
OpenEye OEToolkits 2.0.7COCC1C(C(C(C(O1)O)O)OC)O
CACTVS 3.385COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC)[C@@H]1O
Name:3,6-O-dimethyl-D-glucose
ZINC: ZINC000064633780
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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