SEQ2FUN

BioLiP

PDB CCD ID: C76
Number of entries in BioLiP: 7
Chemical formula: C8 H12 F3 N O6
InChI: InChI=1S/C8H12F3NO6/c9-8(10,11)7(17)12-3-5(15)4(14)2(1-13)18-6(3)16/h2-6,13-16H,1H2,(H,12,17)/t2-,3-,4-,5-,6-/m1/s1
InChIKey: ZXNYUXIMAXVSFN-QZABAPFNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(O1)O)NC(=O)C(F)(F)F)O)O)O
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H]1O
CACTVS 3.385OC[CH]1O[CH](O)[CH](NC(=O)C(F)(F)F)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)NC(=O)C(F)(F)F)O)O)O
Name:2,2,2-tris(fluoranyl)-N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide;
N-trifluoroacetyl-D-glucosamine
ZINC: ZINC000004290140
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).