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BioLiP

PDB CCD ID: ZB1
Number of entries in BioLiP: 5
Chemical formula: C7 H14 O6
InChI: InChI=1S/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3/t3-,4-,5-,6+,7+/m1/s1
InChIKey: SCBBSJMAPKXHAH-OVHBTUCOSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CO[C@@H]1[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
OpenEye OEToolkits 1.7.6COC1C(C(OC(C1O)O)CO)O
OpenEye OEToolkits 1.7.6CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1O)O)CO)O
CACTVS 3.370CO[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
ACDLabs 12.01O(C1C(O)C(OC(O)C1O)CO)C
Name:3-O-methyl-alpha-D-glucopyranose
ZINC: ZINC000003861772
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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