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BioLiP

PDB CCD ID: GUF
Number of entries in BioLiP: 2
Chemical formula: C6 H9 F O6
InChI: InChI=1S/C6H9FO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1
InChIKey: LDVYRSUUUDDWHG-LVBGKUAWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370O[CH]1O[CH]([CH](O)[CH](O)[CH]1F)C(O)=O
OpenEye OEToolkits 1.7.6[C@@H]1([C@@H]([C@H](O[C@H]([C@@H]1F)O)C(=O)O)O)O
ACDLabs 12.01FC1C(O)C(O)C(OC1O)C(=O)O
OpenEye OEToolkits 1.7.6C1(C(C(OC(C1F)O)C(=O)O)O)O
CACTVS 3.370O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1F)C(O)=O
Name:2-deoxy-2-fluoro-beta-D-glucopyranuronic acid;
2-deoxy-2-fluoro-beta-glucuronide;
2-deoxy-2-fluoro-beta-D-glucuronic acid;
2-deoxy-2-fluoro-D-glucuronic acid;
2-deoxy-2-fluoro-glucuronic acid
ZINC: ZINC000098208971
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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