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BioLiP

PDB CCD ID: AFD
Number of entries in BioLiP: 3
Chemical formula: C6 H12 O6
InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4-,5-,6+/m1/s1
InChIKey: WQZGKKKJIJFFOK-UKFBFLRUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385OC[C@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O
ACDLabs 12.01C1(O)OC(C(C(C1O)O)O)CO
Name:alpha-D-allopyranose;
alpha-D-allose;
D-allose;
allose
ZINC: ZINC000004095660
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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