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BioLiP Library

PDB CCD ID: 6KH
Number of entries in BioLiP: 3
Chemical formula: C13 H25 F O5
InChI: InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)10(14)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12+,13+/m1/s1
InChIKey: ZEXHYSKAVKHNNT-FHUSYTEZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](F)[CH]1O
OpenEye OEToolkits 2.0.5CCCCCCCOC1C(C(C(C(O1)CO)O)F)O
CACTVS 3.385CCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](F)[C@@H]1O
OpenEye OEToolkits 2.0.5CCCCCCCO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)F)O
Name:heptyl 3-fluoro-alpha-D-mannopyranoside;
3-Fluoro-Heptylmannoside;
heptyl 3-fluoro-alpha-D-mannoside;
heptyl 3-fluoro-D-mannoside;
heptyl 3-fluoro-mannoside
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)(download the PDF file).
  • 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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