Record Information
Version2.0
Creation Date2012-05-31 13:57:15 -0600
Update Date2015-09-17 15:41:16 -0600
Secondary Accession Numbers
  • ECMDB02878
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
Weight:Average: 62.0049
Monoisotopic: 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
DescriptionThis compound belongs to the class of chemical entities known as non-metal nitrates. These are inorganic non-metallic compounds containing a nitrate as its largest oxoanion.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous non-metal compounds
Sub ClassNon-metal oxoanionic compounds
Direct ParentNon-metal nitrates
Alternative Parents
Substituents
  • Non-metal nitrate
  • Inorganic oxide
Molecular FrameworkNot Available
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:
2 Hydrogen ion + Nitrate + Ubiquinol-8 > Water + Nitrite + Ubiquinone-8 +2 Hydrogen ion
2 Hydrogen ion + Menaquinol 8 + Nitrate > Water + Menaquinone 8 + Nitrite +2 Hydrogen ion
Ubiquinol-8 + Nitrate > Ubiquinone-8 + Water + Nitrite
Menaquinol 8 + Nitrate > Menaquinone 8 + Water + Nitrite
NADH + 2 Nitric oxide + 2 Oxygen > Hydrogen ion + NAD +2 Nitrate
NADPH + 2 Nitric oxide + 2 Oxygen > Hydrogen ion + NADP +2 Nitrate
Nitrite + Acceptor + Water + Acceptor <> Nitrate + Reduced acceptor + Reduced acceptor
2 Ferricytochrome c + Nitrite + Water <> Nitrate +2 Ferrocytochrome c +2 Hydrogen ion
Nitrite + Water + Cytochromes-C-Oxidized <> Nitrate + Cytochromes-C-Reduced
NAD(P)H + Nitric oxide + Oxygen > NAD(P)<sup>+</sup> + Nitrate + Hydrogen ion
a menaquinol + Nitrate + Hydrogen ion > a menaquinone + Nitrite + Water + Hydrogen ion
Nitrate + a ubiquinol > Nitrite + Water + a ubiquinone
Nitrate + Hydrogen ion > Nitrite + Water
2 Nitric oxide + 2 Oxygen + NAD(P)H >2 Nitrate + NAD(P)(+)
Nitrite + acceptor > Nitrate + reduced acceptor
Nitrite + acceptor > Nitrate + reduced acceptor
Nitrite + acceptor > Nitrate + reduced acceptor
Nitrite + acceptor > Nitrate + reduced acceptor
Nitrite + acceptor > Nitrate + reduced acceptor
Nitrite + acceptor > Nitrate + reduced acceptor
Nitrite + acceptor > Nitrate + reduced acceptor
Nitric oxide + 2 Oxygen + NADH + NADPH <>2 Nitrate + NAD + NADP + Hydrogen ion
Nitrate + Nitrate > Nitrate
Nitrate + cytochrome c nitrite reductase + Nitrate <> Nitrite + cytochrome c nitrite reductase + Water + Nitrite
Nitrate + 2 Hydrogen ion + "a menaquinol" > Nitrite + Water + "a menaquinone"
SMPDB Pathways:
Nitrogen metabolismPW000755 Pw000755Pw000755 greyscalePw000755 simple
nitrate reduction VIIIPW002092 Pw002092Pw002092 greyscalePw002092 simple
KEGG Pathways:
EcoCyc Pathways:
Concentrations
Not Available
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 E.coli to use nitrate as an electron acceptor during anaerobic growth. The alpha chain is the actual site of nitrate reduction
Gene Name:
narG
Uniprot ID:
P09152
Molecular weight:
140489
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in nitrate reductase activity
Specific function:
This is a second nitrate reductase enzyme which can substitute for the NRA enzyme and allows E.coli 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:
narV
Uniprot ID:
P0AF32
Molecular weight:
26018
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in iron-sulfur cluster binding
Specific function:
The nitrate reductase enzyme complex allows E.coli 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
Uniprot ID:
P11349
Molecular weight:
58066
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in nitrate reductase activity
Specific function:
The nitrate reductase enzyme complex allows E.coli 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
Uniprot ID:
P11350
Molecular weight:
25497
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
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 2
Gene Name:
narW
Uniprot ID:
P19317
Molecular weight:
26160
General function:
Involved in iron-sulfur cluster binding
Specific function:
This is a second nitrate reductase enzyme which can substitute for the NRA enzyme and allows E.coli 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:
narY
Uniprot ID:
P19318
Molecular weight:
58557
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in oxidoreductase activity
Specific function:
The alpha chain is the actual site of nitrate reduction
Gene Name:
narZ
Uniprot ID:
P19319
Molecular weight:
140226
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in oxidoreductase activity
Specific function:
Various electron acceptors are also reduced by HMP in vitro, including dihydropterine, ferrisiderophores, ferric citrate, cytochrome c, nitrite, S-nitrosoglutathione, and alkylhydroperoxides. However, it is unknown if these reactions are of any biological significance in vivo
Gene Name:
hmp
Uniprot ID:
P24232
Molecular weight:
43867
Reactions
2 NO + 2 O(2) + NAD(P)H = 2 NO(3)(-) + NAD(P)(+).
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
Uniprot ID:
P33937
Molecular weight:
93041
Reactions
Nitrite + acceptor = nitrate + reduced acceptor.
General function:
Involved in electron carrier activity
Specific function:
Involved in electron transfer (Probable)
Gene Name:
napG
Uniprot ID:
P0AAL3
Molecular weight:
24924
General function:
Involved in electron carrier activity
Specific function:
Involved in electron transfer
Gene Name:
napH
Uniprot ID:
P33934
Molecular weight:
31873
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
Uniprot ID:
P0ABL3
Molecular weight:
16297
General function:
Involved in heme binding
Specific function:
Mediates electron flow from quinones to the napAB complex
Gene Name:
napC
Uniprot ID:
P0ABL5
Molecular weight:
23100
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
Uniprot ID:
P0AF26
Molecular weight:
26449

Transporters

General function:
Involved in transporter activity
Specific function:
Non-specific porin
Gene Name:
ompN
Uniprot ID:
P77747
Molecular weight:
41220
General function:
Involved in transporter activity
Specific function:
Uptake of inorganic phosphate, phosphorylated compounds, and some other negatively charged solutes
Gene Name:
phoE
Uniprot ID:
P02932
Molecular weight:
38922
General function:
Involved in transmembrane transport
Specific function:
Involved in excretion of nitrite produced by the dissimilatory reduction of nitrate
Gene Name:
narK
Uniprot ID:
P10903
Molecular weight:
49693
General function:
Involved in transporter activity
Specific function:
OmpF is a porin that forms passive diffusion pores which allow small molecular weight hydrophilic materials across the outer membrane. It is also a receptor for the bacteriophage T2
Gene Name:
ompF
Uniprot ID:
P02931
Molecular weight:
39333
General function:
Involved in transporter activity
Specific function:
Forms passive diffusion pores which allow small molecular weight hydrophilic materials across the outer membrane
Gene Name:
ompC
Uniprot ID:
P06996
Molecular weight:
40368
General function:
Involved in transmembrane transport
Specific function:
Involved in excretion of nitrite produced by the dissimilatory reduction of nitrate
Gene Name:
narU
Uniprot ID:
P37758
Molecular weight:
49890