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BioLiP

PDB CCD ID: 2H5
Number of entries in BioLiP: 12
Chemical formula: C6 H11 F O5
InChI: InChI=1S/C6H11FO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
InChIKey: BUMRBAMACDBPKO-FPRJBGLDSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01FC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.6C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)F)O)O
CACTVS 3.385OC[CH]1O[CH](O)[CH](O)[CH](F)[CH]1O
CACTVS 3.385OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](F)[C@H]1O
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)F)O)O
Name:3-deoxy-3-fluoro-beta-D-galactopyranose;
3-deoxy-3-fluoro-beta-D-galactose;
3-deoxy-3-fluoro-D-galactose;
3-deoxy-3-fluoro-galactose
ZINC: ZINC000004329331
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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