Record Information
Version1.0
Creation date2010-04-08 22:05:58 UTC
Update date2020-09-17 15:39:07 UTC
Primary IDFDB003811
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameNitrate
DescriptionNitrate, also known as nitric acid ion or nitrATE ion, belongs to the class of inorganic compounds known as non-metal nitrates. These are inorganic non-metallic compounds containing a nitrate as its largest oxoanion. Nitrate is a drug. Nitrate is an extremely weak basic (essentially neutral) compound (based on its pKa). Nitrate exists in all eukaryotes, ranging from yeast to humans. In humans, nitrate is involved in caffeine metabolism. Outside of the human body, Nitrate is found, on average, in the highest concentration within pineapples. Nitrate has also been detected, but not quantified in, several different foods, such as kai-lans, cereals and cereal products, black-eyed pea, shiitakes, and cashew nuts. This could make nitrate a potential biomarker for the consumption of these foods. Nitrate is a potentially toxic compound. The Nitrate carries a negative one formal charge. Nitrate ions can be toxic. Organic compounds containing the nitro functional group (which has the same formula and structure as the Nitrate save that one of the O2 atoms is replaced by the R group) are known as nitro compounds.
CAS Number14797-55-8
Structure
Thumb
Synonyms
SynonymSource
[NO3](-)ChEBI
Econazole nitrateHMDB
Femstat 3biospider
Ganitebiospider
Gynazole-1biospider
Isordilbiospider
Isosorbide dinitrateHMDB
Nitrate ionbiospider
Nitrate(1-)biospider
Nitrates, inorganic, n.o.s. [UN1447] [Oxidizer]biospider
Nitric acidbiospider
NITRic acid ionGenerator
Nitric acid(1-)Generator
NO3(-)ChEBI
Sorbitratebiospider
Trioxidonitratebiospider
Trioxidonitrate(1-)biospider
Trioxonitratebiospider
Trioxonitrate(1-)biospider
Predicted PropertiesNot Available
Chemical FormulaNO3
IUPAC name
InChI IdentifierInChI=1S/NO3/c2-1(3)4/q-1
InChI KeyNHNBFGGVMKEFGY-UHFFFAOYSA-N
Isomeric SMILES[O-][N+]([O-])=O
Average Molecular Weight62.0049
Monoisotopic Molecular Weight61.987817871
Classification
ClassificationNot classified
Ontology
Physiological effect

Health effect:

Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID918
ChEMBL IDNot Available
KEGG Compound IDC00244
Pubchem Compound ID943
Pubchem Substance IDNot Available
ChEBI ID17632
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02878
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNITRATE
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNO3
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNitrate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
EnzymesNot Available
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).