BioLiP

PDB

BioLiP

PDB CCD ID:

POP

Number of entries in BioLiP:

728

Chemical formula:

H2 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-2

InChIKey:

XPPKVPWEQAFLFU-UHFFFAOYSA-L

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
CACTVS 3.341	O[P]([O-])(=O)O[P](O)([O-])=O
ACDLabs 10.04	[O-]P(=O)(O)OP([O-])(=O)O
OpenEye OEToolkits 1.5.0	OP(=O)([O-])OP(=O)(O)[O-]

Name:

PYROPHOSPHATE 2-

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).