Nitrite
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Basic Info
| Common Name | Nitrite(F03429) |
| 2D Structure | |
| 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. |
| FRCD ID | F03429 |
| CAS Number | 14797-65-0 |
| PubChem CID | 946 |
| Formula | NO2- |
| IUPAC Name | nitrite |
| InChI Key | IOVCWXUNBOPUCH-UHFFFAOYSA-M |
| InChI | InChI=1S/HNO2/c2-1-3/h(H,2,3)/p-1 |
| Canonical SMILES | N(=O)[O-] |
| Isomeric SMILES | N(=O)[O-] |
| Wikipedia | Nitrite |
| Synonyms |
UNII-J39976L608
nitrite
Nitrite Ion
Nitrite anion
14797-65-0
Nitrous acid, ion(1-)
Nitrite(1-)
NO2-
NO2
Nitrites
|
| Classifies |
Pesticide
|
| Update Date | Nov 13, 2018 17:07 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous non-metal compounds |
| Class | Non-metal oxoanionic compounds |
| Subclass | Non-metal nitrites |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Non-metal nitrites |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Non-metal nitrite - Inorganic nitrite - Inorganic oxide |
| Description | This compound 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. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 46.005 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Complexity | 7.5 |
| Monoisotopic Mass | 45.993 |
| Exact Mass | 45.993 |
| XLogP | -0.8 |
| Formal Charge | -1 |
| Heavy Atom Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9592 |
| Human Intestinal Absorption | HIA+ | 0.9775 |
| Caco-2 Permeability | Caco2+ | 0.5356 |
| P-glycoprotein Substrate | Non-substrate | 0.9033 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9565 |
| Non-inhibitor | 0.9910 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9224 |
| Distribution | ||
| Subcellular localization | Mitochondria | 0.5816 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8679 |
| CYP450 2D6 Substrate | Non-substrate | 0.8723 |
| CYP450 3A4 Substrate | Non-substrate | 0.7124 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.6971 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.9230 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.8861 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8439 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9830 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9225 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.7520 |
| Non-inhibitor | 0.9688 | |
| AMES Toxicity | AMES toxic | 0.5861 |
| Carcinogens | Carcinogens | 0.7376 |
| Fish Toxicity | Low FHMT | 0.9126 |
| Tetrahymena Pyriformis Toxicity | Low TPT | 0.6610 |
| Honey Bee Toxicity | High HBT | 0.7523 |
| Biodegradation | Ready biodegradable | 0.9864 |
| Acute Oral Toxicity | II | 0.6511 |
| Carcinogenicity (Three-class) | Non-required | 0.4885 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | 0.0239 | LogS |
| Caco-2 Permeability | 1.3815 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.5659 | LD50, mol/kg |
| Fish Toxicity | 1.8411 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | -0.6737 | pIGC50, ug/L |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Exposure estimates of nitrite and nitrate from consumption of cured meat productsby the U.S. population. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018Jan | 29095117 |
| Determination of endogenous concentrations of nitrites and nitrates in different types of cheese in the United States: method development and validation using ionchromatography. | Food Addit Contam Part A Chem Anal Control Expo Risk Assess | 2018Apr | 29324081 |
| Ultrasensitive Electrochemical Sensor Based on Polyelectrolyte Composite Film Decorated Glassy Carbon Electrode for Detection of Nitrite in Curing Food at Sub-Micromolar Level. | Molecules | 2018 Oct 9 | 30304828 |
| Sodium nitrite food poisoning in one family. | Forensic Sci Med Pathol | 2018 Oct 6 | 30293223 |
| Nitric oxide synthase: What is its potential role in the physiology ofstaphylococci in meat products? | Int J Food Microbiol | 2018 Oct 3 | 29890305 |
| Biological Characterization of an Edible Species from Brazilian Biodiversity: From Pharmacognostic Data to Ethnopharmacological Investigation. | J Med Food | 2018 Oct 10 | 30307781 |
| Effect of metal in Schiff bases of chitosan adsorbed on glassy carbon electrode in the inhibition of sphingomyelinase C toxin. | Food Chem Toxicol | 2018 Oct | 30076916 |
| Carbon: Nitrogen (C:N) ratio level variation influences microbial community of the system and growth as well as immunity of shrimp (Litopenaeus vannamei) in biofloc based culture system. | Fish Shellfish Immunol | 2018 Oct | 30016684 |
| Enzyme-Based Ultrasensitive Electrochemical Biosensors for Rapid Assessment ofNitrite Toxicity: Recent Advances and Perspectives. | Crit Rev Anal Chem | 2018 May 14:1-12 | 29757672 |
| Silage review: Animal and human health risks from silage. | J Dairy Sci | 2018 May | 29685279 |
| Towards saving freshwater: halophytes as unconventional feedstuffs in livestockfeed: a review. | Environ Sci Pollut Res Int | 2018 May | 29700747 |
| Nutritional value and potential chemical food safety hazards of selected Polishsausages as influenced by their traditionality. | Meat Sci | 2018 May | 29367119 |
| Distinct Nitrite and Nitric Oxide Physiologies in Escherichia coli and Shewanella oneidensis. | Appl Environ Microbiol | 2018 Jun 15 | 29654177 |
| Alleviation of Cardiac Damage by Dietary Fenugreek (Trigonella foenum-graecum)Seeds is Potentiated by Onion (Allium cepa) in Experimental Diabetic Rats viaBlocking Renin-Angiotensin System. | Cardiovasc Toxicol | 2018 Jun | 29094243 |
| Staphtox predictor - A dynamic mathematical model to predict formation of Staphylococcus enterotoxin during heating and fermentation of meat products. | Int J Food Microbiol | 2018 Jul 26 | 30071496 |
| Characterization of halotolerant, pigmented, plant growth promoting bacteria ofgroundnut rhizosphere and its in-vitro evaluation of plant-microbeprotocooperation to withstand salinity and metal stress. | Sci Total Environ | 2018 Jul 15 | 29482138 |
| Characterization of edible bird's nest of different production, species andgeographical origins using nutritional composition, physicochemical propertiesand antioxidant activities. | Food Res Int | 2018 Jul | 29803459 |
| Urolithins Attenuate LPS-Induced Neuroinflammation in BV2Microglia via MAPK, Akt, and NF-κB Signaling Pathways. | J Agric Food Chem | 2018 Jan 24 | 29336147 |
| Ingested nitrate and nitrite, disinfection by-products, and pancreatic cancerrisk in postmenopausal women. | Int J Cancer | 2018 Jan 15 | 28921575 |
| Mechanisms and kinetics of heme iron nitrosylation in an in vitrogastro-intestinal model. | Food Chem | 2018 Jan 15 | 28873645 |
Targets
- General Function:
- Oxygen transporter activity
- Gene Name:
- HBQ1
- Uniprot ID:
- P09105
- Molecular Weight:
- 15507.575 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Oxygen transporter activity
- Specific Function:
- The epsilon chain is a beta-type chain of early mammalian embryonic hemoglobin.
- Gene Name:
- HBE1
- Uniprot ID:
- P02100
- Molecular Weight:
- 16202.71 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.
- Gene Name:
- HBA1
- Uniprot ID:
- P69905
- Molecular Weight:
- 15257.405 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.LVV-hemorphin-7 potentiates the activity of bradykinin, causing a decrease in blood pressure.Spinorphin: functions as an endogenous inhibitor of enkephalin-degrading enzymes such as DPP3, and as a selective antagonist of the P2RX3 receptor which is involved in pain signaling, these properties implicate it as a regulator of pain and inflammation.
- Gene Name:
- HBB
- Uniprot ID:
- P68871
- Molecular Weight:
- 15998.34 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Oxygen transporter activity
- Specific Function:
- Involved in oxygen transport from the lung to the various peripheral tissues.
- Gene Name:
- HBD
- Uniprot ID:
- P02042
- Molecular Weight:
- 16055.41 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
- Specific Function:
- Heme binding
- Gene Name:
- HBG2
- Uniprot ID:
- P69892
- Molecular Weight:
- 16126.35 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Oxygen transporter activity
- Gene Name:
- HBM
- Uniprot ID:
- Q6B0K9
- Molecular Weight:
- 15617.97 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Oxygen transporter activity
- Specific Function:
- The zeta chain is an alpha-type chain of mammalian embryonic hemoglobin.
- Gene Name:
- HBZ
- Uniprot ID:
- P02008
- Molecular Weight:
- 15636.845 Da
- Mechanism of Action:
- 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.
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 ]
- General Function:
- Oxygen transporter activity
- Specific Function:
- Gamma chains make up the fetal hemoglobin F, in combination with alpha chains.
- Gene Name:
- HBG1
- Uniprot ID:
- P69891
- Molecular Weight:
- 16140.37 Da
- Mechanism of Action:
- 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.
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 ]