BioLiP

PDB

BioLiP

PDB CCD ID:

FOU

Number of entries in BioLiP:

Chemical formula:

C4 H7 F N2 O3

InChI:

InChI=1S/C4H7FN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1-3,8-9H,(H2,6,7,10)/t2-,3-/m1/s1

InChIKey:

DBCBOJHOXAJKHT-PWNYCUMCSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[C@H]1NC(=O)N[C@H](O)C1F
OpenEye OEToolkits 1.7.6	C1(C(NC(=O)NC1O)O)F
CACTVS 3.370	O[CH]1NC(=O)N[CH](O)C1F
OpenEye OEToolkits 1.7.6	[C@H]1(C([C@H](NC(=O)N1)O)F)O
ACDLabs 12.01	FC1C(O)NC(=O)NC1O

Name:

(5S,6R)-5-FLUORO-6-HYDROXYDIHYDROPYRIMIDINE-2,4(1H,3H)-DIONE;
(5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE

ZINC:

ZINC000095921359

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).