BioLiP

PDB

BioLiP

PDB CCD ID:

A1H9L

Number of entries in BioLiP:

Chemical formula:

C5 H12 F2 N

InChI:

InChI=1S/C5H12F2N/c1-8(2,5-7)4-3-6/h3-5H2,1-2H3/q+1

InChIKey:

YOGYDOVCYPFAGS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C[N+](C)(CCF)CF
CACTVS 3.385	C[N+](C)(CF)CCF

Name:

difluorocholine;
2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDE;
2-DEOXY-2-FLUORO-ALPHA-D-MANNOSYL FLUORIDE;
2-deoxy-2-fluoro-beta-D-mannosyl fluoride;
2-deoxy-2-fluoro-D-mannosyl fluoride;
2-deoxy-2-fluoro-mannosyl fluoride

Reference:

Chengxin Zhang, Xi Zhang, Lydia 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).