| Record Information |
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| Version | 2.0 |
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| Creation Date | 2009-03-06 18:58:17 UTC |
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| Update Date | 2014-12-24 20:21:20 UTC |
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| Accession Number | T3D0212 |
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| Identification |
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| Common Name | Nitrite |
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| Class | Small Molecule |
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| Description | Nitrite is 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. Under hypoxic conditions, nitrite may release nitric oxide, which causes potent vasodilation. Several mechanisms for nitrite conversion to NO have been described including enzymatic reduction by xanthine oxidoreductase, the mitochondria, and NO synthase (NOS), as well as nonenzymatic acidic disproportionation. -- Wikipedia. |
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| Compound Type | - Food Toxin
- Inorganic Compound
- Metabolite
- Natural Compound
- Nitrite
- Non-Metal
- Pesticide
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| Chemical Structure | |
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| Synonyms | | Synonym | | Nitrite anion | | Nitrite ion | | Nitrogen dioxide | | Nitrogen dioxide ion | | Nitrogen peroxide ion |
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| Chemical Formula | NO2 |
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| Average Molecular Mass | 46.006 g/mol |
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| Monoisotopic Mass | 45.993 g/mol |
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| CAS Registry Number | 14797-65-0 |
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| IUPAC Name | nitrous acid |
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| Traditional Name | nitrous acid |
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| SMILES | [O-]N=O |
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| InChI Identifier | InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1 |
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| InChI Key | InChIKey=IOVCWXUNBOPUCH-UHFFFAOYSA-M |
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| Chemical Taxonomy |
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| Description | belongs to the class of inorganic compounds known as non-metal nitrites. These are inorganic non-metallic compounds containing a nitrite as its largest oxoanion. |
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| Kingdom | Inorganic compounds |
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| Super Class | Homogeneous non-metal compounds |
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| Class | Non-metal oxoanionic compounds |
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| Sub Class | Non-metal nitrites |
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| Direct Parent | Non-metal nitrites |
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| Alternative Parents | |
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| Substituents | - Non-metal nitrite
- Inorganic nitrite
- Inorganic oxide
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| Molecular Framework | Not Available |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Endogenous |
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| Cellular Locations | |
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| Biofluid Locations | Not Available |
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| Tissue Locations | - Bladder
- Brain
- Erythrocyte
- Fibroblasts
- Heart
- Intestine
- Kidney
- Leukocyte
- Liver
- Lung
- Neutrophil
- Oesophagus
- Placenta
- Platelet
- Skeletal Muscle
- Spleen
- Testes
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Solid |
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| Appearance | White powder. |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available | | LogP | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | Deposition Date | View |
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| Predicted GC-MS | Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive | Not Available | 2021-10-12 | View Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 10V, Negative (Annotated) | splash10-0007-9000000000-9cf82c70d7bc0883ea95 | 2018-05-17 | View Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 25V, Negative (Annotated) | splash10-0005-9000000000-e52588fd7e5b6989584d | 2018-05-17 | View Spectrum | | LC-MS/MS | LC-MS/MS Spectrum - Quattro_QQQ 40V, Negative (Annotated) | splash10-0007-9000000000-891acfcb7562d9875939 | 2018-05-17 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-9000000000-701578487c4dc8b94d22 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9000000000-701578487c4dc8b94d22 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-701578487c4dc8b94d22 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-9c61b79c18a51c772d86 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-9c61b79c18a51c772d86 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9000000000-9c61b79c18a51c772d86 | 2015-09-15 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0002-9000000000-f32ca30bef7a838cd1d9 | 2021-09-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0002-9000000000-f32ca30bef7a838cd1d9 | 2021-09-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0002-9000000000-25fa00bd60fa653bf828 | 2021-09-22 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0002-9000000000-a0441e6336543cb88423 | 2021-09-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0002-9000000000-a0441e6336543cb88423 | 2021-09-23 | View Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0002-9000000000-a0441e6336543cb88423 | 2021-09-23 | View Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Oral (6) ; inhalation (6) |
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| Mechanism of Toxicity | Nitrite causes the autocatalytic oxidation of oxyhemoglobin to hydrogen peroxide and methemoglobin. This elevation of methemoglobin levels is a condition known as methemoglobinemia, and is characterized by tissue hypoxia, as methemoglobin cannot bind oxygen. (1, 7) |
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| Metabolism | Intake of some amount of nitrates and nitrites is a normal part of the nitrogen cycle in humans. In vivo conversion of nitrates to nitrites can occur in the gastrointestional tract under the right conditions, significantly enhancing nitrates' toxic potency. The major metabolic pathway for nitrate is conversion to nitrite, and then to ammonia. Nitrites, nitrates, and their metabolites are excreted in the urine. (6) |
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| Toxicity Values | Not Available |
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| Lethal Dose | 10 to 100 mg/kg for an adult human. (8) |
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| Carcinogenicity (IARC Classification) | Ingested nitrate or nitrite under conditions that result in endogenous nitrosation is probably carcinogenic to humans (Group 2A). (5) |
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| Uses/Sources | Nitrates and nitrites are naturally produced and may also be found in pesticides. Exposure usually occurs from contact with contaminated soil, food water. Nitrates may also be found in certain drugs. (6) |
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| Minimum Risk Level | Not Available |
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| Health Effects | Nitrite poisoning causes methemoglobinemia. Nitrites may cause pregnancy complications and developmental effects. They may also be carcinogenic. (6) |
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| Symptoms | Nitrite poisoning causes methemoglobinemia. Symptoms include cyanosis, cardiac dysrhythmias and circulatory failure, and progressive central nervous system (CNS) effects. CNS effects can range from mild dizziness and lethargy to coma and convulsions. (6) |
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| Treatment | Methemoglobinemia can be treated with supplemental oxygen and methylene blue 1% solution administered intravenously slowly over five minutes followed by IV flush with normal saline. Methylene blue restores the iron in hemoglobin to its normal (reduced) oxygen-carrying state. (7) |
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| Normal Concentrations |
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| Not Available |
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| Abnormal Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | HMDB02786 |
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| PubChem Compound ID | 946 |
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| ChEMBL ID | Not Available |
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| ChemSpider ID | 921 |
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| KEGG ID | C00088 |
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| UniProt ID | Not Available |
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| OMIM ID | |
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| ChEBI ID | 16301 |
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| BioCyc ID | NITRITE |
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| CTD ID | Not Available |
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| Stitch ID | Nitrite |
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| PDB ID | NO2 |
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| ACToR ID | 6495 |
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| Wikipedia Link | Nitrite |
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| References |
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| 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), 27-32. |
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| MSDS | Link |
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| General References | - Keszler A, Piknova B, Schechter AN, Hogg N: The reaction between nitrite and oxyhemoglobin: a mechanistic study. J Biol Chem. 2008 Apr 11;283(15):9615-22. doi: 10.1074/jbc.M705630200. Epub 2008 Jan 17. [18203719 ]
- Takahama U, Oniki T, Murata H: The presence of 4-hydroxyphenylacetic acid in human saliva and the possibility of its nitration by salivary nitrite in the stomach. FEBS Lett. 2002 May 8;518(1-3):116-8. [11997029 ]
- Miyado T, Tanaka Y, Nagai H, Takeda S, Saito K, Fukushi K, Yoshida Y, Wakida S, Niki E: Simultaneous determination of nitrate and nitrite in biological fluids by capillary electrophoresis and preliminary study on their determination by microchip capillary electrophoresis. J Chromatogr A. 2004 Oct 8;1051(1-2):185-91. [15532572 ]
- Tsikas D: Methods of quantitative analysis of the nitric oxide metabolites nitrite and nitrate in human biological fluids. Free Radic Res. 2005 Aug;39(8):797-815. [16036360 ]
- International Agency for Research on Cancer (2014). IARC Monographs on the Evaluation of Carcinogenic Risks to Humans. [Link]
- ATSDR - Agency for Toxic Substances and Disease Registry (2007). Case Studies in Environmental Medicine. Nitrate/Nitrite Toxicity. U.S. Public Health Service in collaboration with U.S. Environmental Protection Agency (EPA). [Link]
- Wikipedia. Methemoglobinemia. Last Updated 22 July 2009. [Link]
- International Programme on Chemical Safety (IPCS) INCHEM (1996). Poison Information Monograph for Nitrates and Nitrites. [Link]
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| Gene Regulation |
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| Up-Regulated Genes | Not Available |
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| Down-Regulated Genes | Not Available |
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