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BioLiP

PDB CCD ID: G4D
Number of entries in BioLiP: 9
Chemical formula: C6 H12 O5
InChI: InChI=1S/C6H12O5/c7-2-3-1-4(8)5(9)6(10)11-3/h3-10H,1-2H2/t3-,4-,5+,6-/m0/s1
InChIKey: HDEMQQHXNOJATE-AZGQCCRYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(OC(C(C1O)O)O)CO
OpenEye OEToolkits 1.5.0C1[C@H](O[C@@H]([C@@H]([C@H]1O)O)O)CO
CACTVS 3.341OC[CH]1C[CH](O)[CH](O)[CH](O)O1
CACTVS 3.341OC[C@@H]1C[C@H](O)[C@@H](O)[C@@H](O)O1
ACDLabs 10.04OC1CC(OC(O)C1O)CO
Name:4-deoxy-alpha-D-glucopyranose;
4-DEOXY-ALPHA-D-GLUCOSE;
4-deoxy-D-glucose;
4-deoxy-glucose
DrugBank: DB02670
ZINC: ZINC000005851312
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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