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BioLiP

PDB CCD ID: Z9N
Number of entries in BioLiP: 18
Chemical formula: C6 H12 O6
InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1
InChIKey: RFSUNEUAIZKAJO-ZXXMMSQZSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01OC1C(O)C(OC1(O)CO)CO
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@@](O1)(CO)O)O)O)O
CACTVS 3.370OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(O1)(CO)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O
Name:alpha-D-fructofuranose;
alpha-D-fructose;
D-fructose;
fructose
ChEMBL: CHEMBL4748482
ZINC: ZINC000003830876
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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