SEQ2FUN

BioLiP

PDB CCD ID: FFC
Number of entries in BioLiP: 0
Chemical formula: C12 H21 F O10
InChI: InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11+,12+/m1/s1
InChIKey: CHZBROHNUFSPPZ-FINXQLPQSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)F)O)CO)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O[CH]2[CH](O)[CH](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](F)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F)O)CO)O)O)O)O
Name:2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE
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).