BioLiP

PDB

BioLiP

PDB CCD ID:

A1EJD

Number of entries in BioLiP:

Chemical formula:

C9 H15 N2 O15 P3

InChI:

InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(13)10-5)8-7(26-29(20,21)22)6(25-28(17,18)19)4(24-8)3-23-27(14,15)16/h1-2,4,6-8H,3H2,(H,10,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,8-/m1/s1

InChIKey:

LGKMYXXYWOPMQI-XVFCMESISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385	O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.7	C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385	O[P](O)(=O)OC[CH]1O[CH]([CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O)N2C=CC(=O)NC2=O

Name:

[(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-diphosphonooxy-oxolan-2-yl]methyl dihydrogen phosphate;
3h-Uridine tri-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).