BioLiP

PDB

BioLiP

PDB CCD ID:

OMG

Number of entries in BioLiP:

Chemical formula:

C11 H16 N5 O8 P

InChI:

InChI=1S/C11H16N5O8P/c1-22-7-6(17)4(2-23-25(19,20)21)24-10(7)16-3-13-5-8(16)14-11(12)15-9(5)18/h3-4,6-7,10,17H,2H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t4-,6-,7-,10-/m1/s1

InChIKey:

YPMKZCOIEXUDSS-KQYNXXCUSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1n2cnc3C(=O)NC(=Nc23)N
CACTVS 3.341	CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H]1n2cnc3C(=O)NC(=Nc23)N
ACDLabs 10.04	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3OC)COP(=O)(O)O
OpenEye OEToolkits 1.5.0	COC1C(C(OC1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0	CO[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)O)O

Name:

O2'-METHYLGUANOSINE-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).