BioLiP

PDB

BioLiP

PDB CCD ID:

9O4

Number of entries in BioLiP:

Chemical formula:

C9 H12 N5 O5 P

InChI:

InChI=1S/C9H12N5O5P/c10-8-7-9(12-3-11-8)14(4-13-7)6-1-5(2-18-6)19-20(15,16)17/h3-6H,1-2H2,(H2,10,11,12)(H2,15,16,17)/t5-,6-/m1/s1

InChIKey:

SRZMSIWIQAVZRP-PHDIDXHHSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ncnc2n(cnc12)[C@H]3C[C@H](CO3)O[P](O)(O)=O
ACDLabs 12.01	c3nc1c(ncn1C2CC(OP(O)(=O)O)CO2)c(N)n3
OpenEye OEToolkits 2.0.6	c1nc(c2c(n1)n(cn2)C3CC(CO3)OP(=O)(O)O)N
OpenEye OEToolkits 2.0.6	c1nc(c2c(n1)n(cn2)[C@H]3C[C@H](CO3)OP(=O)(O)O)N
CACTVS 3.385	Nc1ncnc2n(cnc12)[CH]3C[CH](CO3)O[P](O)(O)=O

Name:

(3R,5R)-5-(6-amino-9H-purin-9-yl)oxolan-3-yl 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).