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BioLiP

PDB CCD ID: NF8
Number of entries in BioLiP: 1
Chemical formula: C6 H11 F O4
InChI: InChI=1S/C6H11FO4/c7-3-2-11-4(1-8)6(10)5(3)9/h3-6,8-10H,1-2H2/t3-,4+,5+,6+/m0/s1
InChIKey: JEWFVWVAXVTBRL-SLPGGIOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[CH]1OC[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7C1C(C(C(C(O1)CO)O)O)F
OpenEye OEToolkits 2.0.7C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F
CACTVS 3.385OC[C@H]1OC[C@H](F)[C@@H](O)[C@@H]1O
Name:(2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
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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