Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB000468
Identification
Name: Nitrate
Description:Nitrate is a salt of nitric acid. In organic chemistry the esters of nitric acid and various alcohols are called nitrates. The nitrate ion is a polyatomic anion with the empirical formula NO3- and a molecular mass of 62.01 daltons; it consists of one central nitrogen atom surrounded by three identical oxygen atoms in a trigonal planar arrangement. The nitrate ion carries a negative one formal charge. Nitrates should not be confused with nitrites, the salts of nitrous acid. Organic compounds containing the nitro functional group (which has the same formula and structure as the nitrate ion save that one of the O2 atoms is replaced by the R group) are known as nitro compounds. Nitrate ions can be toxic.
Structure
Thumb
Synonyms:
  • Econazole Nitrate
  • Econazole Nitric acid
  • Femstat 3
  • Ganite
  • Gynazole-1
  • Isordil
  • Isosorbide Dinitrate
  • Isosorbide Dinitric acid
  • Nitrate
  • Nitrate ion
  • Nitric acid
  • Nitric acid ion
  • NO3
  • NO3-
  • NO3
  • NO3-
  • Sorbitrate
  • Sorbitric acid
  • Trioxidonitrate
  • Trioxidonitric acid
  • Trioxonitrate
  • Trioxonitric acid
Chemical Formula: NO3
Average Molecular Weight: 62.0049
Monoisotopic Molecular Weight: 61.987817871
InChI Key: NHNBFGGVMKEFGY-UHFFFAOYSA-N
InChI:InChI=1S/NO3/c2-1(3)4/q-1
CAS number: 14797-55-8
IUPAC Name:nitric acid
Traditional IUPAC Name: nitric acid
SMILES:[O-][N+]([O-])=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as non-metal nitrates. These are inorganic non-metallic compoundscontaining a nitrate as its largest oxoanion.
Kingdom Inorganic compounds
Super ClassHomogeneous non-metal compounds
Class Non-metal oxoanionic compounds
Sub ClassNon-metal nitrates
Direct Parent Non-metal nitrates
Alternative Parents
Substituents
  • Non-metal nitrate
  • Inorganic oxide
  • Inorganic salt
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-1
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP0.028ChemAxon
pKa (Strongest Acidic)-1.4ChemAxon
pKa (Strongest Basic)-6.1ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area66.05 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity10.47 m3·mol-1ChemAxon
Polarizability3.55 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, Positivesplash10-03di-9000000000-75a0abe959565212ac4fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-9000000000-8e1d753ca100f3f6d92dView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-01ot-9000000000-f295c80752f82f542bfaView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-03di-9000000000-59f156be4bb354eb31f7View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-03di-9000000000-dbfc7b33c21beeeeb7e8View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-03dj-9000000000-a596b228780b7e6ae195View 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: Not Available
Material Safety Data Sheet (MSDS) Download (PDF)
External Links:
ResourceLink
CHEBI ID17632
HMDB IDHMDB02878
Pubchem Compound ID943
Kegg IDC00244
ChemSpider ID918
WikipediaNitrate
BioCyc IDNITRATE
EcoCyc IDNITRATE
Ligand ExpoNO3

Enzymes

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 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 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