Record Information
Version1.0
Creation Date2016-07-13 19:47:19 UTC
Update Date2016-07-19 23:35:00 UTC
LmdbLMDB00324
Secondary Accession NumbersNone
Metabolite Identification
Common NameNitrogen
DescriptionElemental nitrogen is a colorless, odorless, tasteless and mostly inert diatomic gas at standard conditions, constituting 78% by volume of Earth's atmosphere. Nitrogen occurs in all living organisms. It is a constituent element of amino acids and therefore of proteins and nucleic acids (DNA and RNA). Nitrogen is found in the chemical structure of almost all neurotransmitters and is a key component of alkaloids. Specific bacteria (e.g. Rhizobium trifolium) possess nitrogenase enzymes which can fix atmospheric nitrogen into a form (ammonium ion) which is chemically useful to higher organisms. Animals use nitrogen-containing amino acids from plant sources, as starting materials for all nitrogen-compound animal biochemistry, including the manufacture of proteins and nucleic acids. Animal metabolism of NO (nitric oxide) results in production of nitrite. Animal metabolism of nitrogen in proteins generally results in excretion of urea, while animal metabolism of nucleic acids results in excretion of urea and uric acid. The characteristic odor of animal flesh decay is caused by nitrogen-containing long-chain amines, such as putrescine and cadaverine. Decay of organisms and their waste products may produce small amounts of nitrate, but most decay eventually returns nitrogen content to the atmosphere, as molecular nitrogen. The circulation of nitrogen from the atmosphere through organics and then back to the atmosphere is commonly referred to as the nitrogen cycle.
Structure
Thumb
Synonyms
ValueSource
Molecular nitrogenChEBI
N2ChEBI
N#NChEBI
NitrogenChEBI
DinitrogenHMDB
Nitrogen gasHMDB
Chemical FormulaN2
Average Molecular Weight28.0134
Monoisotopic Molecular Weight28.00614801
IUPAC Namediazyne
Traditional Namenitrogen
CAS Registry Number7727-37-9
SMILES
N#N
InChI Identifier
InChI=1S/N2/c1-2
InChI KeyIJGRMHOSHXDMSA-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as other non-metal nitrides. These are inorganic compounds of nitrogen where nitrogen has a formal oxidation state of -3, and the heaviest atom bonded to it belongs to the class of 'other non-metals'.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassOther non-metal organides
Sub ClassOther non-metal nitrides
Direct ParentOther non-metal nitrides
Alternative Parents
Substituents
  • Other non-metal nitride
  • Inorganic nitride
Molecular FrameworkNot Available
External Descriptors
Ontology
StatusDetected and Quantified
OriginNot Available
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.31ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area47.58 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity26.23 m³·mol⁻¹ChemAxon
Polarizability1.77 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyView
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-004i-9000000000-900558b878d696839dddSpectrum
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-6d8e7ecefdead45cc87dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-6d8e7ecefdead45cc87dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-6d8e7ecefdead45cc87dSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-096cae140ae566643e88Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-096cae140ae566643e88Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-096cae140ae566643e88Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-1fb6bb5f9fe3af7d141eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-1fb6bb5f9fe3af7d141eSpectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-1fb6bb5f9fe3af7d141eSpectrum
MSMass Spectrum (Electron Ionization)splash10-004i-9000000000-6369f2c7b3a3b0e3772cSpectrum
Biological Properties
Cellular LocationsNot Available
Biofluid Locations and Tissue Locations
  • Feces
  • Milk
  • Urine
Concentrations
BiofluidStatusValueConditionSpeciesReferenceDetails
FecesDetected and Quantified241 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
FecesDetected and Quantified242 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
FecesDetected and Quantified254 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
FecesDetected and Quantified272 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
MilkDetected and Quantified157 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
MilkDetected and Quantified164 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
MilkDetected and Quantified172 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
MilkDetected and Quantified173 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
UrineDetected and Quantified171 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
UrineDetected and Quantified173 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
UrineDetected and Quantified174 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
UrineDetected and Quantified174 g/dNot AvailableBovine
    • M.J. Abarghuei, Y...
details
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNITROGEN-MOLECULE
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNitrogen
Chemspider IDNot Available
ChEBI ID17997
PubChem Compound ID947
Kegg Compound IDC00697
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available