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BioLiP

PDB CCD ID: B8D
Number of entries in BioLiP: 1
Chemical formula: C7 H14 O6
InChI: InChI=1S/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
InChIKey: UGQUOHHDWLIZQM-GKHCUFPYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352CO[CH]1[CH](O)[CH](O)[CH](O)O[CH]1CO
CACTVS 3.352CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1CO
ACDLabs 11.02OC1C(OC)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.0COC1C(OC(C(C1O)O)O)CO
OpenEye OEToolkits 1.7.0CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO
Name:4-O-methyl-alpha-D-glucopyranose;
4-O-methyl-alpha-D-glucose;
4-O-methyl-D-glucose;
4-O-methyl-glucose
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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