BioLiP

PDB

BioLiP

PDB CCD ID:

P2U

Number of entries in BioLiP:

Chemical formula:

C9 H13 N2 O8 P

InChI:

InChI=1S/C9H13N2O8P/c12-5-1-6(4-2-10-9(14)11-8(4)13)19-7(5)3-18-20(15,16)17/h2,5-7,12H,1,3H2,(H2,15,16,17)(H2,10,11,13,14)/t5-,6+,7+/m0/s1

InChIKey:

QJNQHNJPOXCQQR-RRKCRQDMSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=P(OCC2OC(C1=CNC(=O)NC1=O)CC2O)(O)O
OpenEye OEToolkits 1.5.0	C1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0	C1C(C(OC1C2=CNC(=O)NC2=O)COP(=O)(O)O)O
CACTVS 3.341	O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O
CACTVS 3.341	O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)C2=CNC(=O)NC2=O

Name:

2'-DEOXY-PSEUDOURIDINE-5'MONOPHOSPHATE

ZINC:

ZINC000013552201

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).