BioLiP

PDB

BioLiP

PDB CCD ID:

NF8

Number of entries in BioLiP:

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:

Software	SMILES
CACTVS 3.385	OC[CH]1OC[CH](F)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.7	C1C(C(C(C(O1)CO)O)O)F
OpenEye OEToolkits 2.0.7	C1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)F
CACTVS 3.385	OC[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, 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).