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RCSB PDB - PO4 Ligand Summary Page

PO4

PHOSPHATE ION

Created:	1999-07-08
Last modified:	2011-06-04

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7,912 entries where PO4 is found as a standalone ligand61 entries where PO4 is covalently linked to polymer or other heterogen groups 3 entries where PO4 is found in a polymer sequence

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Chemical Details
Formal Charge	-3
Atom Count	5
Chiral Atom Count	0
Bond Count	4
Aromatic Bond Count	0

2D diagram of PO4

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Chemical Component Summary
Name	PHOSPHATE ION
Systematic Name (OpenEye OEToolkits)	phosphate
Formula	O₄ P
Molecular Weight	94.971
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	[O-]P([O-])([O-])=O
SMILES	CACTVS	3.341	[O-][P]([O-])([O-])=O
SMILES	OpenEye OEToolkits	1.5.0	[O-]P(=O)([O-])[O-]
Canonical SMILES	CACTVS	3.341	[O-][P]([O-])([O-])=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	[O-]P(=O)([O-])[O-]
InChI	InChI	1.03	InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKey	InChI	1.03	NBIIXXVUZAFLBC-UHFFFAOYSA-K

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB14523
Name	Phosphate ion
Groups	experimental
Synonyms	Orthophosphate Phosphate ion Phosphate
Brand Names	Liquidguard
Categories	Acids Acids, Noncarboxylic Anions Electrolytes Ions Phosphate salts Phosphoric Acids Phosphorus Acids Phosphorus Compounds
CAS number	14265-44-2

Related Resource References

Resource Name	Reference
PubChem	1061
ChEBI	CHEBI:18367
CCDC/CSD	AFOTAR
COD	9004248

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