SEQ2FUN

BioLiP

PDB CCD ID: OTU
Number of entries in BioLiP: 1
Chemical formula: C12 H22 O11
InChI: InChI=1S/C12H22O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4,6-16,18-21H,1-3H2/t4-,6-,7-,8-,9+,10-,11-,12-/m1/s1
InChIKey: RULSWEULPANCDV-PIXUTMIVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)C(=O)CO
CACTVS 3.370OC[C@@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)CO
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)OC(C(C(CO)O)O)C(=O)CO)O)O)O)O
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]([C@@H](CO)O)O)C(=O)CO)O)O)O)O
ACDLabs 12.01O=C(C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO
Name:3-O-alpha-D-glucopyranosyl-D-fructose;
3-O-alpha-D-glucosyl-D-fructose;
3-O-D-glucosyl-D-fructose;
3-O-glucosyl-D-fructose
ZINC: ZINC000033358936
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).