Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB110244
Identification
Name: phosphate
Description:A phosphate ion that is the conjugate base of dihydrogenphosphate.
Structure
Thumb
Synonyms:
  • HPO4-2
  • inorganic phosphate
  • HPO42-
  • phosphate-inorganic
  • Pi
  • orthophosphate
  • PO43-
Chemical Formula: HO4P
Average Molecular Weight: 95.979
Monoisotopic Molecular Weight: 97.9768950947
InChI Key: NBIIXXVUZAFLBC-UHFFFAOYSA-L
InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-2
CAS number: 14066-19-4
IUPAC Name:hydrogen(tetraoxidophosphate)(2−)
Traditional IUPAC Name: hydrogen phosphate
SMILES:[O-]P(=O)(O)[O-]
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of chemical entities known as non-metal phosphates. These are inorganic non-metallic compounds containing a phosphate as its largest oxoanion.
Kingdom Chemical entities
Super ClassInorganic compounds
Class Homogeneous non-metal compounds
Sub ClassNon-metal oxoanionic compounds
Direct Parent Non-metal phosphates
Alternative Parents
Substituents
  • Non-metal phosphate
  • Inorganic oxide
Molecular Framework Not Available
External Descriptors
Physical Properties
State: Solid
Charge:-2
Melting point: Not Available
Experimental Properties:
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-1ChemAxon
pKa (Strongest Acidic)1.8ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area83.42 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity12.41 m3·mol-1ChemAxon
Polarizability5.24 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Not Available
Reactions:
CPD0-1027 + phosphate → α-D-glucopyranose 1-phosphate
β-nicotinamide D-ribonucleotide + Water → Nicotinamide riboside + phosphate
coenzyme A + acetate + ATP → phosphate + acetyl-CoA + ADP
sucrose 6F-phosphate + Water → Sucrose + phosphate
di-trans,octa-cis-undecaprenyl diphosphate + Water → Hydrogen ion + di-trans,octa-cis-undecaprenyl phosphate + phosphate
1-4-alpha-D-Glucan + phosphate → 1-4-alpha-D-Glucan + α-D-glucopyranose 1-phosphate
ATP + acetyl-CoA + Water → malonyl-CoA + ADP + phosphate + Hydrogen ion
LysW-L-glutamate-5-semialdehyde + NADP+ + phosphate → LysW-L-glutamate-5-phosphate + NADPH + Hydrogen ion
Trehalose + phosphate → alpha-D-Glucose + α-D-glucopyranose 1-phosphate
ATP + DNA-N + Water → ADP + phosphate
ATP + protoporphyrin IX + MG+2 + Water → Hydrogen ion + Mg-protoporphyrin + phosphate + ADP
GTP + Water → Hydrogen ion + 2-amino-5-formylamino-6-(5-phospho-D-ribosylamino)pyrimidin-4(3H)-one + phosphate
beta-Alanine + (R)-pantoate + ATP → Hydrogen ion + (R)-pantothenate + phosphate + ADP
2-hydroxy-5-(methylthio)-3-oxopent-1-enyl phosphate + Water → 1,2-dihydroxy-5-(methylthio)pent-1-en-3-one + phosphate
adenosine 3'-monophosphate + Water → Adenosine + phosphate
UDP-N-acetylmuramoyl-L-alanyl-γ-D-glutamyl-L-lysine + D-Alanyl-D-alanine + ATP → Hydrogen ion + UDP-N-acetyl-α-D-muramoyl-L-alanyl-γ-D-glutamyl-L-lysyl-D-alanyl-D-alanine + phosphate + ADP
3-Prime-Ribonucleoside-Monophosphates + Water → Ribonucleosides + phosphate
Long-linear-glucans + phosphate → Long-linear-glucans + α-D-glucopyranose 1-phosphate
Soluble-Heteroglycans + phosphate → Soluble-Heteroglycans + α-D-glucopyranose 1-phosphate
cytidine-3'-monophosphate + Water → Cytidine + phosphate
D-glyceraldehyde 3-phosphate + phosphate + NAD-P-OR-NOP → 1,3-bisphospho-D-glycerate + NADH-P-OR-NOP + Hydrogen ion
5'-Deoxyadenosine + phosphate → 5-deoxy-α-ribose 1-phosphate + Adenine
uridine 3'-monophosphate + Water → Uridine + phosphate
CMP + Water → Cytidine + phosphate
chlorophyllide a + ADP + phosphate → protochlorophyllide a + ATP + Water
IMP + Water → Inosine + phosphate
Protein-Phosphoserines + Water → Protein-L-serines + phosphate
Guanosine + phosphate → Guanine + α-D-ribose-1-phosphate
maltoheptaose + phosphate → Maltohexaose + α-D-glucopyranose 1-phosphate
METHYLENE-THF-GLU-N + L-glutamate + ATP → METHYLENE-THF-GLU-N + ADP + phosphate
5-oxoproline + Water + ATP → Hydrogen ion + L-glutamate + phosphate + ADP
Hydrogen ion + ATP + Water → Hydrogen ion + ADP + phosphate
guanosine 3'-monophosphate + Water → Guanosine + phosphate
β-nicotinate D-ribonucleotide + Water → β-D-ribosylnicotinate + phosphate
D-glyceraldehyde 3-phosphate + phosphate + NADP+ → 1,3-bisphospho-D-glycerate + NADPH + Hydrogen ion
D-glycero-β-D-manno-heptose 1,7-bisphosphate + Water → D-glycero-β-D-manno-heptose 1-phosphate + phosphate
alpha-N-Peptidyl-LGlutamate + L-glutamate + ATP → CPD0-2471 + ADP + phosphate + Hydrogen ion
Maltohexaose + phosphate → maltopentaose + α-D-glucopyranose 1-phosphate
GMP + Water → Guanosine + phosphate
ALGINATE + Water + ATP → ALGINATE + phosphate + ADP + Hydrogen ion
phosphatidylglycerophosphate (1-octadecenoyl(9Z), 2-palmitoyl) + Water → 1-18:1-2-16:0-phosphatidylglycerol + phosphate
phosphate → Ribonucleoside-Diphosphates
maltopentaose + phosphate → α-D-glucopyranose 1-phosphate + maltotetraose
GTP + Water → Hydrogen ion + GDP + phosphate
ethylphosphate + Water → phosphate + Ethanol
Ribonucleoside-Monophosphates + Water → Ribonucleosides + phosphate
L-ornithine + carbamoyl-phosphate → Hydrogen ion + Citrulline + phosphate
Adenosine + phosphate → Adenine + α-D-ribose-1-phosphate
cob(II)yrinate c-monoamide + L-Glutamine + ATP + Water → cob(II)yrinate a,c-diamide + L-glutamate + ADP + phosphate + Hydrogen ion
Linear-Malto-Oligosaccharides + phosphate → α-D-glucopyranose 1-phosphate + Linear-Malto-Oligosaccharides
ATP + acetyl-CoA + Hydrogen carbonate → Hydrogen ion + malonyl-CoA + phosphate + ADP
thiamin phosphate + Water → thiamin + phosphate
cobyrinate + L-Glutamine + ATP + Water → cob(II)yrinate c-monoamide + L-glutamate + ADP + phosphate + Hydrogen ion
ATP → ADP + phosphate
Water + ATP → Hydrogen ion + phosphate + ADP
UMP + Water → Uridine + phosphate
Deoxyadenosine + phosphate → Adenine + 2-deoxy-α-D-ribose 1-phosphate
cobyrinate + L-Glutamine + ATP + Water → cob(II)yrinate a,c-diamide + L-glutamate + ADP + phosphate + Hydrogen ion
Maltodextrins + phosphate → Maltodextrins + α-D-glucopyranose 1-phosphate
L-Glutamine + ATP + Water → L-glutamate + phosphate + ADP + Hydrogen ion
Xenobiotic + Water + ATP → Xenobiotic + phosphate + ADP
Deoxyguanosine + phosphate → Guanine + 2-deoxy-α-D-ribose 1-phosphate
5'-Methylthioadenosine + phosphate → Adenine + S-methyl-5-thio-α-D-ribose 1-phosphate
Glycogens + phosphate → α-D-glucopyranose 1-phosphate + maltotetraose
UDP-N-acetyl-α-D-muramate + L-alanyl-γ-D-glutamyl-meso-diaminopimelate + ATP → Hydrogen ion + UDP-N-Acetylmuramoyl-L-alanyl-D-glutamyl-meso-2,6-diaminoheptanedioate + ADP + phosphate
L-glutamate + LysW-C-Terminal-L-Glutamate + ATP → LysW-L-glutamate + ADP + phosphate + Hydrogen ion
cis-geranyl-CoA + Hydrogen carbonate + ATP → 3-(4-methylpent-3-en-1-yl)-pent-2-enedioyl-CoA + phosphate + ADP + Hydrogen ion
ATP + Water + K+ → ADP + phosphate + K+ + Hydrogen ion
Deoxyinosine + phosphate → Hypoxanthine + 2-deoxy-α-D-ribose 1-phosphate
More...

Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
References
References: Not Available
Synthesis Reference: Rosso, Janina A.; Rodriguez Nieto, Felipe J.; Gonzalez, Monica C.; Martire, Daniel O. Reactions of phosphate radicals with substituted benzenes. Journal of Photochemistry and Photobiology, A: Chemistry (1998), 116(1), 21-25.
Material Safety Data Sheet (MSDS) Download (PDF)
External Links:
ResourceLink
CAS14265-44-2
ChEBI43474
HMDBHMDB00973
IAF126033499
KEGGC00009
KNApSAcKC00007408
MetaboLightsMTBLC43474
PubChem3681305