BioLiP

PDB

BioLiP

PDB CCD ID:

L2B

Number of entries in BioLiP:

Chemical formula:

C9 H13 N2 O8 P

InChI:

InChI=1S/C9H13N2O8P/c12-6-3-5(4-18-20(15,16)17)19-8(6)11-2-1-7(13)10-9(11)14/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1

InChIKey:

SEOHEWZQAGEAGZ-SHYZEUOFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1C(OC(C1O)N2C=CC(=O)NC2=O)COP(=O)(O)O
CACTVS 3.385	O[C@@H]1C[C@@H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.7	C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2=O)COP(=O)(O)O
CACTVS 3.385	O[CH]1C[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O

Name:

3'-DEOXYURIDINE-5'-MONOPHOSPHATE;
[(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl 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).