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BioLiP

PDB CCD ID: T6T
Number of entries in BioLiP: 6
Chemical formula: C6 H12 O6
InChI: InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1
InChIKey: LKDRXBCSQODPBY-VANKVMQKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C]1(O)OC[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(OCC(C1O)O)(CO)O
CACTVS 3.385OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O
OpenEye OEToolkits 2.0.6C1C(C(C(C(O1)(CO)O)O)O)O
Name:alpha-D-tagatopyranose;
alpha-D-tagatose;
D-tagatose;
tagatose
ChEMBL: CHEMBL3183898
ZINC: ZINC000003830878
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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