Showing metabocard for Nitrogen (MMDBc0000189)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2020-10-27 23:39:08 UTC
Update Date2024-10-07 00:09:26 UTC
Metabolite IDMMDBc0000189
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. Nitrogen can be measured in urine with the Kjeldahl method or by spectrophotometric methods (enzymic tests). Total urinary nitrogen is calculated based on urea urinary nitrogen quantified with these methods.
Structure
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for #<Metabolite:0x00007f46dc2e3220>

947
  Mrv0541 02231219052D          

  2  1  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
M  END
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3D MOL for #<Metabolite:0x00007f46dc2e3220>

HMDB0001371
     RDKit          3D
Nitrogen
  2  1  0  0  0  0  0  0  0  0999 V2000
    0.5629    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
M  END
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3D SDF for #<Metabolite:0x00007f46dc2e3220>

947
  Mrv0541 02231219052D          

  2  1  0  0  0  0            999 V2000
    1.6500    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0000189

> <DATABASE_NAME>
MIME

> <SMILES>
N#N

> <INCHI_IDENTIFIER>
InChI=1S/N2/c1-2

> <INCHI_KEY>
IJGRMHOSHXDMSA-UHFFFAOYSA-N

> <FORMULA>
N2

> <MOLECULAR_WEIGHT>
28.0134

> <EXACT_MASS>
28.00614801

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
1.7660811281543802

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
diazyne

> <JCHEM_LOGP>
0.31153025599999995

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
47.58

> <JCHEM_REFRACTIVITY>
26.2298

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
nitrogen

> <JCHEM_VEBER_RULE>
0

$$$$
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3D-SDF for #<Metabolite:0x00007f46dc2e3220>

HMDB0001371
     RDKit          3D
Nitrogen
  2  1  0  0  0  0  0  0  0  0999 V2000
    0.5629    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5629    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0
M  END
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PDB for #<Metabolite:0x00007f46dc2e3220>

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 947                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       3.080   0.000   0.000  0.00  0.00           N+0
HETATM    2  N   UNK     0       4.620   0.000   0.000  0.00  0.00           N+0
CONECT    1    2                                                            
CONECT    2    1                                                            
MASTER        0    0    0    0    0    0    0    0    2    0    2    0
END
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3D PDB for #<Metabolite:0x00007f46dc2e3220>

COMPND    HMDB0001371
HETATM    1  N1  UNL     1       0.563   0.000   0.000  1.00  0.00           N  
HETATM    2  N2  UNL     1      -0.563   0.000   0.000  1.00  0.00           N  
CONECT    1    2    2    2
END
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SMILES for #<Metabolite:0x00007f46dc2e3220>

N#N
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INCHI for #<Metabolite:0x00007f46dc2e3220>

InChI=1S/N2/c1-2
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Synonyms
ValueSource
Molecular nitrogenChEBI
N2ChEBI
N#NChEBI
NitrogenChEBI
DinitrogenHMDB
Nitrogen gasHMDB
Molecular FormulaN2
Average Mass28.0134
Monoisotopic Mass28.00614801
IUPAC Namediazyne
Traditional Namenitrogen
CAS Registry Number7727-37-9
SMILES
N#N
InChI Identifier
InChI=1S/N2/c1-2
InChI KeyIJGRMHOSHXDMSA-UHFFFAOYSA-N