Cannabis Compound Database: Showing Compound Card for Ammonium (CDB005100)

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Record Information

Version

1.0

Created at

2020-04-17 19:09:20 UTC

Updated at

2020-11-18 16:39:21 UTC

CannabisDB ID

CDB005100

Secondary Accession Numbers

Not Available

Cannabis Compound Identification

Common Name

Ammonium

Description

Ammonium, 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+. Ammonium is expected to be in Cannabis as all living plants are known to produce and metabolize it.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[NH4](+)	ChEBI
Ammonium cation	ChEBI
Ammonium ion	ChEBI
Ammonium(1+)	ChEBI
NH4+	ChEBI
NH4(+)	ChEBI
Ammonia ion	Kegg
Ammonium chloride	HMDB
Azanium	HMDB
[NH4]+	HMDB
Ammonium compounds	HMDB

Chemical Formula

H₄N

Average Molecular Weight

18.04

Monoisotopic Molecular Weight

18.0344

IUPAC Name

azanium

Traditional Name

azanium

CAS Registry Number

14798-03-9

SMILES

[NH4+]

InChI Identifier

InChI=1S/H3N/h1H3/p+1

InChI Key

QGZKDVFQNNGYKY-UHFFFAOYSA-O

Chemical Taxonomy

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'.

Kingdom

Inorganic compounds

Super Class

Homogeneous non-metal compounds

Class

Homogeneous other non-metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous other non-metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous other non metal

Molecular Framework

Not Available

External Descriptors

monovalent inorganic cation (CHEBI:28938 )
ammonium ion (CHEBI:28938 )
nitrogen hydride (CHEBI:28938 )
onium cation (CHEBI:28938 )
a cation (AMMONIUM )

Ontology

Disposition

Biological location:

Biofluid and excreta:

Sweat

Source:

Endogenous

Role

Biological role:

Nutrient

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	10.2 mg/mL at 20 °C	Not Available
logP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.98	ChemAxon
pKa (Strongest Basic)	8.86	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	16.31 m³·mol⁻¹	ChemAxon
Polarizability	2.38 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

EI-MS/GC-MS

Not Available

MS/MS

Type	Description	Splash Key	View
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-865a280eac64792eb43e	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-865a280eac64792eb43e	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-865a280eac64792eb43e	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-9000000000-b764e01bee53b44bf449	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-9000000000-b764e01bee53b44bf449	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-9000000000-b764e01bee53b44bf449	2015-09-15	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-4d3180e05bafd704562f	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-4d3180e05bafd704562f	2021-09-22	View Spectrum
Predicted MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-4d3180e05bafd704562f	2021-09-22	View Spectrum

NMR

Not Available

Pathways

Name	SMPDB/Pathwhiz	KEGG
The oncogenic action of 2-hydroxyglutarate		Not Available
The oncogenic action of L-2-hydroxyglutarate in Hydroxygluaricaciduria		Not Available
The oncogenic action of D-2-hydroxyglutarate in Hydroxygluaricaciduria		Not Available