Livestock Metabolome Database: Showing metabocard for Ammonia (LMDB00020)

Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-07-13 19:40:37 UTC

Update Date

2016-07-19 23:17:49 UTC

Lmdb

LMDB00020

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Ammonia

Description

Ammonia is a colorless alkaline gas with a characteristic sharp smell. Ammonia is one of the most abundant nitrogen-containing compounds in the atmosphere. It is an irritant with a characteristic pungent odor, which is widely used in industry. Inasmuch as ammonia is highly soluble in water and, upon inhalation, is deposited in the upper airways, occupational exposures to ammonia have commonly been associated with sinusitis, upper airway irritation, and eye irritation. Acute exposures to high levels of ammonia have also been associated with diseases of the lower airways and interstitial lung. Ammonia has been shown to be a neurotoxin that predominantly affects astrocytes. Disturbed mitochondrial function and oxidative stress, factors implicated in the induction of the mitochondrial permeability transition, appear to be involved in the mechanism of ammonia neurotoxicity. Ammonia is formed in nearly all tissues and organs of the vertebrate organism; it is the most common endogenous neurotoxic compounds. Ammonia can affect the glutamatergic and GABAergic neuronal systems, the two prevailing neuronal systems of the cortical structures. Ammonia is well recognized to be central in the pathogenesis of hepatic encephalopathy and has been of importance to generations dating back to the early Egyptians. The gut produces ammonia which is metabolized in the liver and almost all organ systems are involved in ammonia metabolism. Colonic bacteria produce ammonia by splitting urea and other amino acids, however this does not explain hyperammonemia and hepatic encephalopathy. The alternative explanation is that hyperammonemia is the result of intestinal breakdown of amino acids, especially glutamine. The intestines have significant glutaminase activity, predominantly located in the enterocytes. On the other hand, this organ has only a little glutamine synthetase activity, making it a major glutamine-consuming organ. In addition to the intestine, the kidney is an important source of blood ammonia in patients with liver disease. Ammonia is also taken up by the muscle and brain in hepatic coma, and there is confirmation that ammonia is metabolized in muscle. The excessive formation of ammonia in the brains of Alzheimer's disease patients has been demonstrated, and it has been shown that some Alzheimer's disease patients exhibit elevated blood ammonia concentrations. Ammonia is the most important natural modulator of lysosomal protein processing: there is evidence for the involvement of aberrant lysosomal processing of beta-amyloid precursor protein (beta-APP) in the formation of amyloid deposits. Inflammatory processes and activation of microglia are widely believed to be implicated in the pathology of Alzheimer's disease. Ammonia is able to affect the characteristic functions of microglia, such as endocytosis, and cytokine production. Based on these facts, an ammonia-based hypothesis for Alzheimer's disease has been suggested. (PMID: 17006913 , 16167195 , 15377862 , 15369278 , 12020619 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
[NH3]	ChEBI
Ammoniac	ChEBI
Ammoniak	ChEBI
Amoniaco	ChEBI
NH3	ChEBI
R-717	ChEBI
Spirit OF hartshorn	ChEBI
Ammonia anhydrous	HMDB
Ammonia inhalant	HMDB
Ammonia solution strong	HMDB
Ammonia water	HMDB
Liquid ammonia	HMDB
Am-fol	HMDB
Ammonia (CONC 20% or greater)	HMDB
Ammonia gas	HMDB
Ammonia solution	HMDB
Ammonia solution strong (NF)	HMDB
Ammonia water (JP15)	HMDB
Ammoniacum gummi	HMDB
Ammoniak kconzentrierter	HMDB
Ammoniakgas	HMDB
Ammonium ion	HMDB
Anhydrous ammonia	HMDB
Aromatic ammonia vaporole	HMDB
Azane	HMDB
NH(3)	HMDB
Nitro-sil	HMDB
Primaeres amin	HMDB
Sekundaeres amin	HMDB
Tertiaeres amin	HMDB

Chemical Formula

H₃N

Average Molecular Weight

17.0305

Monoisotopic Molecular Weight

17.026549101

IUPAC Name

ammonia

Traditional Name

ammonia

CAS Registry Number

7664-41-7

SMILES

InChI Identifier

InChI=1S/H3N/h1H3

InChI Key

QGZKDVFQNNGYKY-UHFFFAOYSA-N

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

mononuclear parent hydride (CHEBI:16134 )
azane (CHEBI:16134 )
a small molecule (AMMONIA )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	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	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	13.59 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	15.51 m³·mol⁻¹	ChemAxon
Polarizability	1.99 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-014i-9000000000-92ab2d6b6fd9cfb23ac7	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-88ae09421d46f7dea1c5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-88ae09421d46f7dea1c5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-88ae09421d46f7dea1c5	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-9000000000-5e750288766bc8c562ff	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-9000000000-5e750288766bc8c562ff	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-9000000000-5e750288766bc8c562ff	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-014i-9000000000-4d3180e05bafd704562f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-014i-9000000000-4d3180e05bafd704562f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-014i-9000000000-4d3180e05bafd704562f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-014i-9000000000-e1d016c3d6effe2294d2	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-014i-9000000000-e1d016c3d6effe2294d2	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-014i-9000000000-e1d016c3d6effe2294d2	Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-014i-9000000000-e0a6e51ead158714099b	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Plasma

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Plasma	Detected and Quantified	102 +/- 12-96.4+/-7.4 uM	Not Available	Porcine	22513987	details
Plasma	Detected and Quantified	85.3 +/- 9.2-82.9+/-6.9 uM	Not Available	Porcine	22513987	details
Plasma	Detected and Quantified	87.7 +/- 5.3-81.8+/-9.9 uM	Not Available	Porcine	22513987	details
Plasma	Detected and Quantified	97.83 uM	Not Available	Porcine	25820777	details
Plasma	Detected and Quantified	100.74 uM	Not Available	Porcine	25820777	details
Plasma	Detected and Quantified	129.85 uM	Not Available	Porcine	25820777	details
Plasma	Detected and Quantified	135.75 uM	Not Available	Porcine	25820777	details

External Links

DrugBank ID

DBMET01482

HMDB ID

HMDB0000051

FooDB ID

FDB003908

Phenol Explorer ID

Not Available

KNApSAcK ID

C00007267

BiGG ID

Not Available

BioCyc ID

AMMONIA

METLIN ID

3189

PDB ID

Not Available

Wikipedia Link

Chemspider ID

ChEBI ID

PubChem Compound ID

Kegg Compound ID

YMDB ID

ECMDB ID

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Albrecht J, Norenberg MD: Glutamine: a Trojan horse in ammonia neurotoxicity. Hepatology. 2006 Oct;44(4):788-94. [17006913 ]
Shawcross DL, Olde Damink SW, Butterworth RF, Jalan R: Ammonia and hepatic encephalopathy: the more things change, the more they remain the same. Metab Brain Dis. 2005 Sep;20(3):169-79. [16167195 ]
Norenberg MD, Rama Rao KV, Jayakumar AR: Ammonia neurotoxicity and the mitochondrial permeability transition. J Bioenerg Biomembr. 2004 Aug;36(4):303-7. [15377862 ]
Brautbar N, Wu MP, Richter ED: Chronic ammonia inhalation and interstitial pulmonary fibrosis: a case report and review of the literature. Arch Environ Health. 2003 Sep;58(9):592-6. [15369278 ]
Seiler N: Ammonia and Alzheimer's disease. Neurochem Int. 2002 Aug-Sep;41(2-3):189-207. [12020619 ]

Showing metabocard for Ammonia (LMDB00020)

Structure for LMDB00020 (Ammonia)