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BioLiP

PDB CCD ID: TEU
Number of entries in BioLiP: 3
Chemical formula: C12 H22 O11
InChI: InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
InChIKey: NMELTECMHKKXLF-DGQJZECASA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)OCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)O)O)O)O
ACDLabs 12.01O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)OCC(=O)C(C(C(CO)O)O)O)O)O)O)O
CACTVS 3.370OC[CH](O)[CH](O)[CH](O)C(=O)CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
Name:1-O-alpha-D-glucopyranosyl-D-fructose;
1-O-alpha-D-glucosyl-D-fructose;
1-O-D-glucosyl-D-fructose;
1-O-glucosyl-D-fructose
ZINC: ZINC000031475103
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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