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Showing Compound ammonium (FDB030676)

Record Information
Version1.0
Creation date2015-05-07 19:46:39 UTC
Update date2025-11-19 03:01:48 UTC
Primary IDFDB030676
Secondary Accession NumbersNot Available
Chemical Information
FooDB Nameammonium
DescriptionAmmonium, also known as ammonium(1+) or ammonium ion, belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'. Ammonium is a very strong basic compound (based on its pKa). Ammonium is an important source of nitrogen for many plant species, especially those growing on hypoxic soils. Outside of the human body, Ammonium has been detected, but not quantified in, several different foods, such as yams, european chestnuts, sweet basils, soy beans, and dates. This could make ammonium a potential biomarker for the consumption of these foods. Ammonium, with regard to humans, has been found to be associated with the diseases such as coenzyme Q10 deficiency, primary, 1; ammonium has also been linked to the inborn metabolic disorder n-acetylglutamate synthetase deficiency. It is formed by the protonation of ammonia (NH3). However, it is also toxic to most crop species and is rarely applied as a sole nitrogen source. Ammonium is also a general name for positively charged or protonated substituted amines and quaternary ammonium cations (NR4+), where one or more hydrogen atoms are replaced by organic radical groups (indicated by R). The ammonium (more obscurely: aminium) cation is a positively charged polyatomic cation with the chemical formula NH4+.
CAS Number14798-03-9
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
[NH4](+)ChEBI
Ammonium cationChEBI
Ammonium ionChEBI
Ammonium(1+)ChEBI
NH4+ChEBI
NH4(+)ChEBI
Ammonia ionKegg
Ammonium chlorideHMDB
AzaniumHMDB
[NH4]+HMDB
Ammonium compoundsHMDB
Predicted Properties
PropertyValueSource
logP-0.98ChemAxon
pKa (Strongest Basic)8.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity16.31 m³·mol⁻¹ChemAxon
Polarizability2.38 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaH4N
IUPAC nameazanium
InChI IdentifierInChI=1S/H3N/h1H3/p+1
InChI KeyQGZKDVFQNNGYKY-UHFFFAOYSA-O
Isomeric SMILES[NH4+]
Average Molecular Weight18.0385
Monoisotopic Molecular Weight18.034374133
Classification
Description Belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
Sub ClassNot Available
Direct ParentHomogeneous other non-metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous other non metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Biological location:

Source:

Role

Biological role:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateNot Available
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-865a280eac64792eb43e2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-865a280eac64792eb43e2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-865a280eac64792eb43e2015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-b764e01bee53b44bf4492015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-b764e01bee53b44bf4492015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-b764e01bee53b44bf4492015-09-15View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-4d3180e05bafd704562f2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-4d3180e05bafd704562f2021-09-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-4d3180e05bafd704562f2021-09-22View Spectrum
NMRNot Available
ChemSpider ID218
ChEMBL IDNot Available
KEGG Compound IDC01342
Pubchem Compound ID16741146
Pubchem Substance IDNot Available
ChEBI IDNot Available
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB0041827
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDAmmonium
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
Pathways
NameSMPDB LinkKEGG Link
Metabolism and Physiological Effects of Phenylacetic AcidSMP0123256 Not Available
Metabolism and Physiological Effects of Phenol sulphate SMP0126844 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference