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BioLiP

PDB CCD ID: 045
Number of entries in BioLiP: 0
Chemical formula: C18 H32 O16
InChI: InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
InChIKey: ODEHMIGXGLNAKK-OESPXIITSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.2C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)CO)O)O)O)O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)OC2(C(C(C(O2)COC3(C(C(C(O3)CO)O)O)CO)O)O)CO)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O[C]2(CO)O[CH](CO[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)COC3(OC(CO)C(O)C3O)CO)CO
CACTVS 3.370OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Name:beta-D-fructofuranosyl-(2->6)-beta-D-fructofuranosyl alpha-D-glucopyranoside;
6-KESTOSE
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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