DPO

DIPHOSPHATE

Created:	1999-07-08
Last modified:	2014-03-19

Find Related PDB Entry
132 entries where DPO is found as a standalone ligand9 entries where DPO is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	-4
Atom Count	9
Chiral Atom Count	0
Bond Count	8
Aromatic Bond Count	0

2D diagram of DPO

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	DIPHOSPHATE
Systematic Name (OpenEye OEToolkits)	phosphonato phosphate
Formula	O₇ P₂
Molecular Weight	173.943
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	[O-]P([O-])(=O)OP([O-])([O-])=O
SMILES	CACTVS	3.370	[O-][P]([O-])(=O)O[P]([O-])([O-])=O
SMILES	OpenEye OEToolkits	1.7.2	[O-]P(=O)([O-])OP(=O)([O-])[O-]
Canonical SMILES	CACTVS	3.370	[O-][P]([O-])(=O)O[P]([O-])([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.7.2	[O-]P(=O)([O-])OP(=O)([O-])[O-]
InChI	InChI	1.03	InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
InChIKey	InChI	1.03	XPPKVPWEQAFLFU-UHFFFAOYSA-J

Related Resource References

Resource Name	Reference
PubChem	644102
ChEBI	CHEBI:18361
COD	2228080, 2008017, 2310552

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.