BioLiP

PDB

BioLiP

PDB CCD ID:

UFB

Number of entries in BioLiP:

Chemical formula:

C10 H14 F N2 O9 P

InChI:

InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10+/m1/s1

InChIKey:

ZYOWQXVTIIKUDO-JIOCBJNQSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.6	CO[C@@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O
CACTVS 3.385	CO[C@@]1(CO[P](O)(O)=O)O[C@H]([C@H](F)[C@@H]1O)N2C=CC(=O)NC2=O
ACDLabs 12.01	C1(C(F)C(O)C(O1)(COP(O)(=O)O)OC)N2C(=O)NC(C=C2)=O
OpenEye OEToolkits 2.0.6	COC1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O

Name:

2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate)

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).