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BioLiP

PDB CCD ID: GUL
Number of entries in BioLiP: 2
Chemical formula: C6 H10 F2 O5
InChI: InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3+,4+,5?,6+/m1/s1
InChIKey: MGHYRMVVRYCAON-NURPGYHYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1(C(C(C(C(O1)F)O)O)O)F)O
OpenEye OEToolkits 1.5.0C([C@]1([C@H]([C@@H]([C@@H](C(O1)F)O)O)O)F)O
ACDLabs 10.04FC1OC(F)(C(O)C(O)C1O)CO
CACTVS 3.341OC[C]1(F)O[CH](F)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@]1(F)O[C@H](F)[C@@H](O)[C@@H](O)[C@@H]1O
Name:(2R,3S,4R,5S)-2,6-difluoro-2-(hydroxymethyl)oxane-3,4,5-triol;
5-FLUORO-BETA-L-GULOSYL FLUORIDE
DrugBank: DB03008
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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