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BioLiP Library

PDB CCD ID: 3DO
Number of entries in BioLiP: 2
Chemical formula: C6 H12 O5
InChI: InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKey: RJDIFQMDPPUATQ-SLPGGIOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)C[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](O)C[C@@H]1O
ACDLabs 12.01OC1C(OC(O)C(O)C1)CO
OpenEye OEToolkits 1.7.6C1C(C(OC(C1O)O)CO)O
OpenEye OEToolkits 1.7.6C1[C@@H]([C@H](O[C@H]([C@@H]1O)O)CO)O
Name:3-deoxy-beta-D-glucopyranose;
3-deoxy-beta-D-ribo-hexopyranose;
3-deoxy-beta-D-glucose;
3-deoxy-D-glucose;
3-deoxy-glucose
ZINC: ZINC000013547141
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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