Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB000465
Identification
Name: Nitrite
Description:A nitrite compound is either a salt or an ester of nitrous acid. Sodium nitrite is used for the curing of meat because it prevents bacterial growth and, in a reaction with the meat's myoglobin, gives the product a desirable dark red color. Nitrite can be reduced to nitric oxide or ammonia by many species of bacteria. Several mechanisms for nitrite conversion to NO have been described including enzymatic reduction by xanthine oxidoreductase and NO synthase (NOS), as well as nonenzymatic acidic disproportionation. -- Wikipedia
Structure
Thumb
Synonyms:
  • Nitrite
  • Nitrite anion
  • Nitrite ion
  • Nitrogen dioxide
  • Nitrogen dioxide ion
  • Nitrogen peroxide ion
  • NO2
  • NO2-
  • NO2
  • NO2-
Chemical Formula: NO2
Average Molecular Weight: 46.0055
Monoisotopic Molecular Weight: 45.992903249
InChI Key: IOVCWXUNBOPUCH-UHFFFAOYSA-M
InChI:InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1
CAS number: 14797-65-0
IUPAC Name:nitrous acid
Traditional IUPAC Name: nitrous acid
SMILES:[O-]N=O
Chemical Taxonomy
Taxonomy DescriptionThis compound 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 nonmetals'.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Homogeneous other non-metal compounds
Sub ClassNot Available
Direct Parent Homogeneous other non-metal compounds
Alternative Parents
Substituents
  • Homogeneous other non metal
  • Inorganic oxide
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-1
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP0.17ChemAxon
pKa (Strongest Acidic)3.32ChemAxon
pKa (Strongest Basic)-3.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area49.66 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity8.72 m3·mol-1ChemAxon
Polarizability2.81 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Pathways:
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0002-9000000000-701578487c4dc8b94d22View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0002-9000000000-701578487c4dc8b94d22View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0002-9000000000-701578487c4dc8b94d22View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0002-9000000000-9c61b79c18a51c772d86View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0002-9000000000-9c61b79c18a51c772d86View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0002-9000000000-9c61b79c18a51c772d86View in MoNA
References
References:
  • Kanehisa, M., Goto, S., Sato, Y., Furumichi, M., Tanabe, M. (2012). "KEGG for integration and interpretation of large-scale molecular data sets." Nucleic Acids Res 40:D109-D114. Pubmed: 22080510
  • Keseler, I. M., Collado-Vides, J., Santos-Zavaleta, A., Peralta-Gil, M., Gama-Castro, S., Muniz-Rascado, L., Bonavides-Martinez, C., Paley, S., Krummenacker, M., Altman, T., Kaipa, P., Spaulding, A., Pacheco, J., Latendresse, M., Fulcher, C., Sarker, M., Shearer, A. G., Mackie, A., Paulsen, I., Gunsalus, R. P., Karp, P. D. (2011). "EcoCyc: a comprehensive database of Escherichia coli biology." Nucleic Acids Res 39:D583-D590. Pubmed: 21097882
Synthesis Reference: Nakata, Sumio; Eiki, Toshio; Tanaka, Norihiro; Koyama, Tadashi; Tsukui, Hiroto; Watanabe, Shizuo. Production of nitrite ions from trinitrophenyl myosin and from trinitrophenyl subfragment-1. Journal of Biochemistry (Tokyo, Japan) (1986), 99(1), 27-
Material Safety Data Sheet (MSDS) Download (PDF)
External Links:
ResourceLink
CHEBI ID16301
HMDB IDHMDB02786
Pubchem Compound ID24529
Kegg IDC00088
ChemSpider ID921
WikipediaNitrite
BioCyc IDNITRITE
EcoCyc IDNITRITE
Ligand ExpoNO2

Enzymes

General function:
Involved in oxidation-reduction process
Specific function:
Ammonium hydroxide + 3 NAD(P)(+) + H(2)O = nitrite + 3 NAD(P)H
Gene Name:
nirB
Locus Tag:
PA1781
Molecular weight:
89.7 kDa
Reactions
Ammonium hydroxide + 3 NAD(P)(+) + H(2)O = nitrite + 3 NAD(P)H.
General function:
Involved in oxidoreductase activity
Specific function:
The nitrate reductase enzyme complex allows Pseudomonas aeruginosa to use nitrate as an electron acceptor during anaerobic growth. The alpha chain is the actual site of nitrate reduction
Gene Name:
narG
Locus Tag:
PA3875
Molecular weight:
141 kDa
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in nitrite reductase [NAD(P)H] activity
Specific function:
Required for activity of the reductase
Gene Name:
nirD
Locus Tag:
PA1780
Molecular weight:
11.6 kDa
Reactions
Ammonium hydroxide + 3 NAD(P)(+) + H(2)O = nitrite + 3 NAD(P)H.
General function:
Involved in iron-sulfur cluster binding
Specific function:
The nitrate reductase enzyme complex allows Pseudomonas aeruginosa to use nitrate as an electron acceptor during anaerobic growth. The beta chain is an electron transfer unit containing four cysteine clusters involved in the formation of iron-sulfur centers. Electrons are transferred from the gamma chain to the molybdenum cofactor of the alpha subunit
Gene Name:
narH
Locus Tag:
PA3874
Molecular weight:
58.1 kDa
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in nitrate reductase activity
Specific function:
The nitrate reductase enzyme complex allows Pseudomonas aeruginosa to use nitrate as an electron acceptor during anaerobic growth. The gamma chain is a membrane-embedded heme-iron unit resembling cytochrome b, which transfers electrons from quinones to the beta subunit
Gene Name:
narI
Locus Tag:
PA3872
Molecular weight:
25 kDa
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in oxidoreductase activity
Specific function:
Catalytic subunit of the periplasmic nitrate reductase (NAP). Only expressed at high levels during aerobic growth. NapAB complex receives electrons from the membrane-anchored tetraheme protein napC, thus allowing electron flow between membrane and periplasm. Essential function for nitrate assimilation and may have a role in anaerobic metabolism
Gene Name:
napA
Locus Tag:
PA1174
Molecular weight:
92.9 kDa
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Energy production and conversion
Specific function:
Small subunit of the periplasmic nitrate reductase (NAP). Only expressed at high levels during aerobic growth. NapAB complex receives electrons from the membrane-anchored tetraheme napC protein, thus allowing electron flow between membrane and periplasm. Essential function for nitrate assimilation and may have a role in anaerobic metabolism
Gene Name:
napB
Locus Tag:
PA1173
Molecular weight:
17.9 kDa
General function:
Involved in heme binding
Specific function:
Mediates electron flow from quinones to the napAB complex
Gene Name:
napC
Locus Tag:
PA1172
Molecular weight:
22.7 kDa
General function:
Involved in unfolded protein binding
Specific function:
Chaperone required for proper molybdenum cofactor insertion and final assembly of the membrane-bound respiratory nitrate reductase 1. Required for the insertion of the molybdenum into the apo-NarG subunit, maybe by keeping NarG in an appropriate competent-open conformation for the molybdenum cofactor insertion to occur. NarJ maintains the apoNarGH complex in a soluble state. Upon insertion of the molybdenum cofactor, NarJ seems to dissociate from the activated soluble NarGH complex, before its association with the NarI subunit on the membrane
Gene Name:
narJ
Locus Tag:
PA3873
Molecular weight:
27.3 kDa

Transporters

General function:
Involved in transporter activity
Specific function:
May act as a nitrite transporter
Gene Name:
nirC
Locus Tag:
PA0517
Molecular weight:
12.8 kDa
General function:
Involved in transmembrane transport
Specific function:
Involved in excretion of nitrite produced by the dissimilatory reduction of nitrate
Gene Name:
narK
Locus Tag:
PA3876
Molecular weight:
50.6 kDa