BioLiP

PDB

BioLiP

PDB CCD ID:

U4M

Number of entries in BioLiP:

Chemical formula:

C10 H14 F N2 O8 P

InChI:

InChI=1S/C10H14FN2O8P/c1-10(4-20-22(17,18)19)7(15)6(11)8(21-10)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:

ZQJMYOGITIALJZ-IBCQBUCCSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@]1([C@H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O
ACDLabs 12.01	C1(OC(C(C1F)O)(COP(O)(=O)O)C)N2C(NC(C=C2)=O)=O
CACTVS 3.385	C[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O)N2C=CC(=O)NC2=O
CACTVS 3.385	C[C@]1(CO[P](O)(O)=O)O[C@H]([C@H](F)[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.6	CC1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O

Name:

1-{2,5-dideoxy-2-fluoro-4-[(phosphonooxy)methyl]-alpha-L-lyxofuranosyl}pyrimidine-2,4(1H,3H)-dione;
2'-F,4'-alpha-methyl 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).