BioLiP

PDB

BioLiP

PDB CCD ID:

PON

Number of entries in BioLiP:

Chemical formula:

H3 N O6 P2

InChI:

InChI=1S/H4NO6P2/c1-8(2,3)7-9(4,5)6/h(H4-,1,2,3,4,5,6)/q-1/p-1

InChIKey:

VYBCVOULKDXKCH-UHFFFAOYSA-M

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	N=[P@@](O)([O-])O[P@](=O)(O)[O-]
CACTVS 3.341	O[P@@]([O-])(=N)O[P](O)([O-])=O
OpenEye OEToolkits 1.5.0	N=P(O)([O-])OP(=O)(O)[O-]
CACTVS 3.341	O[P]([O-])(=N)O[P](O)([O-])=O

Name:

IMIDO DIPHOSPHATE

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).