BioLiP

PDB

BioLiP

PDB CCD ID:

A1A0L

Number of entries in BioLiP:

Chemical formula:

C10 H15 N2 O8 P

InChI:

InChI=1S/C10H15N2O8P/c1-5-3-12(10(14)11-8(5)18-2)9-7(13)6(4-19-9)20-21(15,16)17/h3,6-7,9,13H,4H2,1-2H3,(H2,15,16,17)/t6-,7+,9+/m0/s1

InChIKey:

OJDLFCPBILBUDP-LKEWCRSYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=P(O)(O)OC1COC(N2C=C(C)C(=NC2=O)OC)C1O
OpenEye OEToolkits 2.0.7	CC1=CN(C(=O)N=C1OC)[C@H]2[C@@H]([C@H](CO2)OP(=O)(O)O)O
CACTVS 3.385	COC1=NC(=O)N(C=C1C)[CH]2OC[CH](O[P](O)(O)=O)[CH]2O
OpenEye OEToolkits 2.0.7	CC1=CN(C(=O)N=C1OC)C2C(C(CO2)OP(=O)(O)O)O
CACTVS 3.385	COC1=NC(=O)N(C=C1C)[C@@H]2OC[C@H](O[P](O)(O)=O)[C@H]2O

Name:

1-{(2R,3R,4S)-3-hydroxy-4-[(trihydroxy-lambda~5~-phosphanyl)oxy]oxolan-2-yl}-4-methoxy-5-methylpyrimidin-2(1H)-one

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).