Basic Info

Common NamePhosphine(F03462)
2D Structure
Description

Fumigant for cereals, flour, packaged foods

Phosphine has been shown to exhibit anti-tumor function (A7737).

Phosphine belongs to the family of Other Non-metal Hydrides. These are inorganic compounds in which the heaviest atom bonded to an hydrogen atom is belongs to the class of 'other non-metals'.

FRCD IDF03462
CAS Number7803-51-2
PubChem CID24404
FormulaH3P
IUPAC Name

phosphane

InChI Key

XYFCBTPGUUZFHI-UHFFFAOYSA-N

InChI

InChI=1S/H3P/h1H3

Canonical SMILES

P

Isomeric SMILES

P

WikipediaPhosphine
Synonyms
        
            Phosphorwasserstoff
        
            Phosphine
        
            phosphane
        
            Hydrogen phosphide
        
            Phosphorus trihydride
        
            7803-51-2
        
            Phosphorus hydride
        
            Phosphorus-31
        
            Fosforowodor
        
            Gas-Ex-B
        
Classifies
                

                  
                    Pollutant
                  
                    Pesticide
                  

                
        
Update DateNov 13, 2018 17:07

Chemical Taxonomy

KingdomInorganic compounds
SuperclassHomogeneous non-metal compounds
ClassHomogeneous other non-metal compounds
SubclassNot available
Intermediate Tree NodesNot available
Direct ParentHomogeneous other non-metal compounds
Alternative Parents
Molecular FrameworkNot available
SubstituentsHomogeneous other non metal
DescriptionThis compound belongs to the class of inorganic compounds known as homogeneous other non-metal compounds. These are inorganic non-metallic compounds in which the largest atom belongs to the class of 'other non-metals'.

Properties

Property NameProperty Value
Molecular Weight33.998
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Complexity0
Monoisotopic Mass33.997
Exact Mass33.997
XLogP-0.1
Formal Charge0
Heavy Atom Count1
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

ADMET

Model Result Probability
Absorption
Blood-Brain BarrierBBB+0.9749
Human Intestinal AbsorptionHIA+0.9688
Caco-2 PermeabilityCaco2+0.7271
P-glycoprotein SubstrateNon-substrate0.8843
P-glycoprotein InhibitorNon-inhibitor0.9756
Non-inhibitor0.9858
Renal Organic Cation TransporterNon-inhibitor0.9158
Distribution
Subcellular localizationLysosome0.4873
Metabolism
CYP450 2C9 SubstrateNon-substrate0.8290
CYP450 2D6 SubstrateNon-substrate0.8264
CYP450 3A4 SubstrateNon-substrate0.8149
CYP450 1A2 InhibitorNon-inhibitor0.8931
CYP450 2C9 InhibitorNon-inhibitor0.9419
CYP450 2D6 InhibitorNon-inhibitor0.9723
CYP450 2C19 InhibitorNon-inhibitor0.9606
CYP450 3A4 InhibitorNon-inhibitor0.9824
CYP Inhibitory PromiscuityLow CYP Inhibitory Promiscuity0.8924
Excretion
Toxicity
Human Ether-a-go-go-Related Gene InhibitionWeak inhibitor0.9489
Non-inhibitor0.9757
AMES ToxicityNon AMES toxic0.9656
CarcinogensCarcinogens 0.6575
Fish ToxicityLow FHMT0.6542
Tetrahymena Pyriformis ToxicityLow TPT0.6631
Honey Bee ToxicityHigh HBT0.8551
BiodegradationReady biodegradable0.8291
Acute Oral ToxicityIII0.6449
Carcinogenicity (Three-class)Warning0.4812

Model Value Unit
Absorption
Aqueous solubility-1.1574LogS
Caco-2 Permeability1.4907LogPapp, cm/s
Distribution
Metabolism
Excretion
Toxicity
Rat Acute Toxicity2.2920LD50, mol/kg
Fish Toxicity1.6189pLC50, mg/L
Tetrahymena Pyriformis Toxicity-0.7156pIGC50, ug/L

MRLs

FoodProduct CodeCountryMRLsApplication DateNotes
Citrus fruits0110000European Union0.01*28/04/2017
Others (2)0233990European Union0.01*28/04/2017
Hazelnuts/cobnuts (Acorns, Filberts,)0120060European Union0.0928/04/2017
Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,)0110020European Union0.01*28/04/2017
Lemons (Buddha's hands/Buddha's fingers, Citrons,)0110030European Union0.01*28/04/2017
Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,)0110040European Union0.01*28/04/2017
Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,)0110050European Union0.01*28/04/2017
Others (2)0110990European Union0.01*28/04/2017
Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,)0120010European Union0.0928/04/2017
Brazil nuts0120020European Union0.0928/04/2017
Cashew nuts0120030European Union0.0928/04/2017
Chestnuts0120040European Union0.0928/04/2017
Coconuts (Areca nuts/betel nuts,)0120050European Union0.0928/04/2017
Macadamias0120070European Union0.0928/04/2017
Pecans (Hickory nuts,)0120080European Union0.0928/04/2017
Pistachios0120100European Union0.128/04/2017
Walnuts0120110European Union0.0928/04/2017
Others (2)0120990European Union0.01*28/04/2017
Pome fruits0130000European Union0.01*28/04/2017
Apples (Crab apples/wild apples, Tejocotes,)0130010European Union0.01*28/04/2017

References

TitleJournalDatePubmed ID
Uncertainty of pesticide residue concentration determined from ordinary andweighted linear regression curve.Food Addit Contam Part A Chem Anal Control Expo Risk Assess2018Jul29521572
Effect of combining adsorption-stripping treatment with acidification on thegrowth of Chlorella vulgaris and nutrient removal from swine wastewater.Bioresour Technol2018 Sep29723844
Validation of a dilute and shoot method for quantification of 12 elements byinductively coupled plasma tandem mass spectrometry in human milk and in cow milkpreparations.J Trace Elem Med Biol2018 Sep29895368
Hydrologic and water quality performance of permeable pavement with internalwater storage over a clay soil in Durham, North Carolina.J Environ Manage2018 Oct 1530055460
Effects of potassium fertilization on potato starch physicochemical properties.Int J Biol Macromol2018 Oct 129791875
Adding benefit to wetlands - Valorization of harvested common reed throughmushroom production.Sci Total Environ2018 Oct 129801232
Particle size distribution mathematical models and properties of suspended solidsin a typical freshwater pond.Environ Pollut2018 Oct29804049
At the Intersection of Urbanization, Water, and Food Security: Determination ofSelect Contaminants of Emerging Concern in Mussels and Oysters from Hong Kong.J Agric Food Chem2018 May 2329526083
Combined treatment with Dendrobium candidum and black tea extract promotesosteoprotective activity in ovariectomized estrogen deficient rats and osteoclastformation.Life Sci2018 May 129544757
Nutritional value and potential chemical food safety hazards of selected Polishsausages as influenced by their traditionality.Meat Sci2018 May29367119
Pyrolysis and co-composting of municipal organic waste in Bangladesh: Aquantitative estimate of recyclable nutrients, greenhouse gas emissions, andeconomic benefits.Waste Manag2018 May29439929
[An automated direct immersion solid-phase micro extraction-gaschromatography-mass spectrometry (DI-SPME-GCMS) method for determinationpesticides in liquid Chinese herbal health food].Wei Sheng Yan Jiu2018 May30082015
Minerals and Trace Elements in Milk, Milk Products, Infant Formula, andAdult/Pediatric Nutritional Formula, ICP-MS Method: Collaborative Study, AOACFinal Action 2015.06, ISO/DIS 21424, IDF 243.J AOAC Int2018 Mar 129151407
Phosphorus recovery and reuse by pyrolysis: Applications for agriculture andenvironment.Chemosphere2018 Mar29245134
Adsorption of phosphorus by calcium-flour biochar: Isotherm, kinetic andtransformation studies.Chemosphere2018 Mar29287274
Dietary intake of inorganic phosphorus has a stronger influence onvascular-endothelium function than organic phosphorus.J Clin Biochem Nutr2018 Mar29610557
Phosphorus-loaded biochar changes soil heavy metals availability and uptakepotential of maize (Zea mays L.) plants.Chemosphere2018 Mar29220749
The Impact of Additives on the Phosphorus, Potassium, and Sodium Content ofCommonly Consumed Meat, Poultry, and Fish Products Among Patients With ChronicKidney Disease.J Ren Nutr2018 Mar29146137
Effects of stocking density on growth performance, meat quality and tibiadevelopment of Pekin ducks.Anim Sci J2018 Jun29682864
Genetic (co)variances between milk mineral concentration and chemical compositionin lactating Holstein-Friesian dairy cows.Animal2018 Jul 6:1-1029976269

Targets

General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX4I1
Uniprot ID:
P13073
Molecular Weight:
19576.6 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Iron ion binding
Specific Function:
Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Subunits 1-3 form the functional core of the enzyme complex. CO I is the catalytic subunit of the enzyme. Electrons originating in cytochrome c are transferred via the copper A center of subunit 2 and heme A of subunit 1 to the bimetallic center formed by heme A3 and copper B.
Gene Name:
MT-CO1
Uniprot ID:
P00395
Molecular Weight:
57040.91 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
Cytochrome c oxidase is the component of the respiratory chain that catalyzes the reduction of oxygen to water. Subunits 1-3 form the functional core of the enzyme complex. Subunit 2 transfers the electrons from cytochrome c via its binuclear copper A center to the bimetallic center of the catalytic subunit 1.
Gene Name:
MT-CO2
Uniprot ID:
P00403
Molecular Weight:
25564.73 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Metal ion binding
Specific Function:
This is the heme A-containing chain of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX5A
Uniprot ID:
P20674
Molecular Weight:
16761.985 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Metal ion binding
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX5B
Uniprot ID:
P10606
Molecular Weight:
13695.57 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX6A1
Uniprot ID:
P12074
Molecular Weight:
12154.8 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX6A2
Uniprot ID:
Q02221
Molecular Weight:
10815.32 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
Connects the two COX monomers into the physiological dimeric form.
Gene Name:
COX6B1
Uniprot ID:
P14854
Molecular Weight:
10192.345 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
Connects the two COX monomers into the physiological dimeric form.
Gene Name:
COX6B2
Uniprot ID:
Q6YFQ2
Molecular Weight:
10528.905 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX6C
Uniprot ID:
P09669
Molecular Weight:
8781.36 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX7A1
Uniprot ID:
P24310
Molecular Weight:
9117.44 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX7A2
Uniprot ID:
P14406
Molecular Weight:
9395.89 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport. Plays a role in proper central nervous system (CNS) development in vertebrates.
Gene Name:
COX7B
Uniprot ID:
P24311
Molecular Weight:
9160.485 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX7B2
Uniprot ID:
Q8TF08
Molecular Weight:
9077.43 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX8A
Uniprot ID:
P10176
Molecular Weight:
7579.0 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX8C
Uniprot ID:
Q7Z4L0
Molecular Weight:
8128.575 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Gene Name:
COX7A2P2
Uniprot ID:
O60397
Molecular Weight:
11840.715 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
Subunits I, II and III form the functional core of the enzyme complex.
Gene Name:
MT-CO3
Uniprot ID:
P00414
Molecular Weight:
29950.6 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX4I2
Uniprot ID:
Q96KJ9
Molecular Weight:
20010.02 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]
General Function:
Cytochrome-c oxidase activity
Specific Function:
This protein is one of the nuclear-coded polypeptide chains of cytochrome c oxidase, the terminal oxidase in mitochondrial electron transport.
Gene Name:
COX7C
Uniprot ID:
P15954
Molecular Weight:
7245.45 Da
Mechanism of Action:
Phosphine inhibits cytochrome c oxidase, preventing mitochondrial oxidative phosphorylation. This non-competitive inhibition prevents cellular respiration and leads to multi-organ dysfunction.
References
  1. Singh S, Bhalla A, Verma SK, Kaur A, Gill K: Cytochrome-c oxidase inhibition in 26 aluminum phosphide poisoned patients. Clin Toxicol (Phila). 2006;44(2):155-8. [16615671 ]