BioLiP

PDB

BioLiP

PDB CCD ID:

DPO

Number of entries in BioLiP:

Chemical formula:

O7 P2

InChI:

InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4

InChIKey:

XPPKVPWEQAFLFU-UHFFFAOYSA-J

SMILES:

Software	SMILES
CACTVS 3.370	[O-][P]([O-])(=O)O[P]([O-])([O-])=O
OpenEye OEToolkits 1.7.2	[O-]P(=O)([O-])OP(=O)([O-])[O-]
ACDLabs 12.01	[O-]P([O-])(=O)OP([O-])([O-])=O

Name:

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).