Record Information
Version1.0
Creation date2010-04-08 22:06:00 UTC
Update date2015-10-09 22:28:59 UTC
Primary IDFDB003908
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAmmonia
DescriptionAmmonia is a colourless gas with a characteristic pungent odour. Ammonia contributes significantly to the nutritional needs of terrestrial organisms by serving as a precursor to food and fertilizers. Ammonia, either directly or indirectly, is also a building block for the synthesis of many pharmaceuticals. Although in wide use, ammonia is both caustic and hazardous. (Wikipedia)
CAS Number7664-41-7
Structure
Thumb
Synonyms
SynonymSource
[NH3]ChEBI
Am-folHMDB
Ammonia (CONC 20% or greater)HMDB
Ammonia anhydrousHMDB
Ammonia gasHMDB
Ammonia inhalantHMDB
Ammonia solutionHMDB
Ammonia solution strongHMDB
Ammonia solution strong (NF)HMDB
Ammonia water (jp15)HMDB
AmmoniacChEBI
Ammoniacum gummiHMDB
AmmoniakChEBI
Ammoniak kconzentrierterHMDB
AmmoniakgasHMDB
Ammonium ionHMDB
AmoniacoChEBI
Anhydrous ammoniamanual
Aromatic ammonia vaporoleHMDB
AzaneHMDB
Liquid ammoniaHMDB
NH(3)HMDB
NH3manual
Nitro-silHMDB
Primaeres aminHMDB
R-717ChEBI
Sekundaeres aminHMDB
Spirit OF hartshornChEBI
Tertiaeres aminHMDB
Predicted Properties
PropertyValueSource
logP-0.98ChemAxon
pKa (Strongest Basic)8.86ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area13.59 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity15.51 m³·mol⁻¹ChemAxon
Polarizability1.99 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaH3N
IUPAC nameammonia
InChI IdentifierInChI=1S/H3N/h1H3
InChI KeyInChIKey=QGZKDVFQNNGYKY-UHFFFAOYSA-N
Isomeric SMILESN
Average Molecular Weight17
Monoisotopic Molecular Weight17
Classification
ClassificationNot classified
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateLiquid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point-77.7 oC
Boiling PointNot Available
Experimental Water Solubility482 mg/mL at 24 oCDEAN,JA (1985)
Experimental logPNot Available
Experimental pKa9.25
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-014i-9000000000-92ab2d6b6fd9cfb23ac7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-014i-9000000000-88ae09421d46f7dea1c5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-014i-9000000000-88ae09421d46f7dea1c5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014i-9000000000-88ae09421d46f7dea1c5View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-014i-9000000000-5e750288766bc8c562ffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-014i-9000000000-5e750288766bc8c562ffView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-014i-9000000000-5e750288766bc8c562ffView in MoNA
MSMass Spectrum (Electron Ionization)splash10-014i-9000000000-e0a6e51ead158714099bView in MoNA
ChemSpider ID217
ChEMBL IDCHEMBL1160819
KEGG Compound IDC00014
Pubchem Compound ID222
Pubchem Substance IDNot Available
ChEBI ID16134
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB00051
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDAMMONIA|NH3
BIGG IDNot Available
KNApSAcK IDC00007267
HET IDNH3
Flavornet IDNot Available
GoodScent IDrw1097731
SuperScent IDNot Available
Wikipedia IDAmmonia
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
neurotoxic50910 A poison that interferes with the functions of the nervous system.CHEBI
Enzymes
NameGene NameUniProt ID
Adenosine deaminaseADAP00813
BiotinidaseBTDP43251
Aminomethyltransferase, mitochondrialAMTP48728
Glycine cleavage system H protein, mitochondrialGCSHP23434
Kynurenine--oxoglutarate transaminase 3CCBL2Q6YP21
Selenocysteine lyaseSCLYQ96I15
5-phosphohydroxy-L-lysine phospho-lyaseAGXT2L2Q8IUZ5
Fatty-acid amide hydrolase 1FAAHO00519
Fatty-acid amide hydrolase 2FAAH2Q6GMR7
Isoaspartyl peptidase/L-asparaginaseASRGL1Q7L266
60 kDa lysophospholipaseASPGQ86U10
Histidine ammonia-lyaseHALP42357
Cystathionine gamma-lyaseCTHP32929
L-serine dehydratase/L-threonine deaminaseSDSP20132
Serine dehydratase-likeSDSLQ96GA7
Kynurenine--oxoglutarate transaminase 1CCBL1Q16773
Carbamoyl-phosphate synthase [ammonia], mitochondrialCPS1P31327
AMP deaminase 3AMPD3Q01432
AMP deaminase 2AMPD2Q01433
AMP deaminase 1AMPD1P23109
Glutamine synthetaseGLULP15104
Glutaminase liver isoform, mitochondrialGLS2Q9UI32
GMP reductase 2GMPR2Q9P2T1
Glutaminase kidney isoform, mitochondrialGLSO94925
GMP reductase 1GMPRP36959
Formimidoyltransferase-cyclodeaminaseFTCDO95954
Ammonium transporter Rh type ARHAGQ02094
AIDAIDQ546Y9
Ethanolamine-phosphate phospho-lyaseAGXT2L1Q8TBG4
CTP synthase 2CTPS2Q9NRF8
Serine racemaseSRRQ9GZT4
Glucosamine-6-phosphate isomerase 2GNPDA2Q8TDQ7
DNA dC->dU-editing enzyme APOBEC-3HAPOBEC3HQ6NTF7
Pathways
NameSMPDB LinkKEGG Link
Amino Sugar MetabolismSMP00045 map00520
Ammonia RecyclingSMP00009 map00910
Arginine and Proline MetabolismSMP00020 map00330
D-Arginine and D-Ornithine MetabolismSMP00036 map00472
Folate MetabolismSMP00053 map00670
Glucose-Alanine CycleSMP00127 Not Available
Glutamate MetabolismSMP00072 map00250
Glycine and Serine MetabolismSMP00004 map00260
Homocysteine DegradationSMP00455 Not Available
Phenylalanine and Tyrosine MetabolismSMP00008 map00360
Threonine and 2-Oxobutanoate DegradationSMP00452 Not Available
Urea CycleSMP00059 map00330
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
Flavours
FlavorCitations
ammoniacal
  1. The Good Scents Company (2009). Flavor and fragrance information catalog. <http://www.thegoodscentscompany.com/allprod.html> Accessed 15.10.23.
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).