BioLiP

PDB

BioLiP

PDB CCD ID:

UY1

Number of entries in BioLiP:

Chemical formula:

C10 H15 N2 O9 P

InChI:

InChI=1S/C10H15N2O9P/c1-19-8-6(13)5(3-20-22(16,17)18)21-7(8)4-2-11-10(15)12-9(4)14/h2,5-8,13H,3H2,1H3,(H2,16,17,18)(H2,11,12,14,15)/t5-,6-,7+,8-/m1/s1

InChIKey:

VLDJGRCZRDFORR-OOJXKGFFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CO[C@@H]1[C@@H]([C@H](O[C@H]1C2=CNC(=O)NC2=O)COP(=O)(O)O)O
CACTVS 3.385	CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1C2=CNC(=O)NC2=O
CACTVS 3.385	CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1C2=CNC(=O)NC2=O
OpenEye OEToolkits 2.0.7	COC1C(C(OC1C2=CNC(=O)NC2=O)COP(=O)(O)O)O
ACDLabs 12.01	C1(C(OC)C(O)C(O1)COP(=O)(O)O)C2C(=O)NC(N=C2)=O

Name:

2'-O-methylpseudouridine-5'-monophosphate

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).