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BioLiP

PDB CCD ID: IDF
Number of entries in BioLiP: 2
Chemical formula: C6 H8 F2 O6
InChI: InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
InChIKey: NQKZMBDISJYOPD-ORELYVPDSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC1OC(F)(C(=O)O)C(O)C(O)C1O
CACTVS 3.370O[C@H]1[C@H](F)O[C@](F)([C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6[C@H]1([C@H]([C@@H](O[C@]([C@H]1O)(C(=O)O)F)F)O)O
OpenEye OEToolkits 1.7.6C1(C(C(OC(C1O)(C(=O)O)F)F)O)O
CACTVS 3.370O[CH]1[CH](F)O[C](F)([CH](O)[CH]1O)C(O)=O
Name:5-fluoro-alpha-L-idopyranosyluronic acid fluoride;
5-fluoro-alpha-L-idosyluronic acid fluoride;
5-fluoro-L-idosyluronic acid fluoride;
5-fluoro-idosyluronic acid fluoride
ZINC: ZINC000095921356
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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