BioLiP

PDB

BioLiP

PDB CCD ID:

LGP

Number of entries in BioLiP:

Chemical formula:

C9 H14 N5 O7 P

InChI:

InChI=1S/C9H14N5O7P/c10-9-12-7-6(8(16)13-9)11-3-14(7)4-20-5(1-15)2-21-22(17,18)19/h3,5,15H,1-2,4H2,(H2,17,18,19)(H3,10,12,13,16)/t5-/m0/s1

InChIKey:

LSJIZCGOXSEZNF-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.341	NC1=Nc2n(CO[C@@H](CO)CO[P](O)(O)=O)cnc2C(=O)N1
OpenEye OEToolkits 1.5.0	c1nc2c(n1CO[C@@H](CO)COP(=O)(O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0	c1nc2c(n1COC(CO)COP(=O)(O)O)N=C(NC2=O)N
CACTVS 3.341	NC1=Nc2n(CO[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1
ACDLabs 10.04	O=P(O)(O)OCC(OCn1c2N=C(NC(=O)c2nc1)N)CO

Name:

N9-1-HYDROXY-PROP-2-OXYMETHYL-GUANINE-3'-MONOPHOSPHATE;
LINEAR DECARBON-C2* GUANOSINE-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).