SEQ2FUN

BioLiP

PDB CCD ID: BTU
Number of entries in BioLiP: 0
Chemical formula: C12 H22 O11
InChI: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)22-10-7(17)5(2-14)23-12(10,20)3-15/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
InChIKey: DRQXUCVJDCRJDB-GWRCVIBKSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O[C]2(O)CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.370OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 12.01O(C1C(O)C(OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O
Name:3-O-alpha-D-glucopyranosyl-beta-D-fructofuranose
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).