Record Information
Version1.0
Creation date2010-04-08 22:05:56 UTC
Update date2018-05-28 18:34:33 UTC
Primary IDFDB003763
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameArsenic
DescriptionArsenic(As) is a ubiquitous metalloid found in several forms in food and the environment, such as the soil, air and water. Physiologically, it exists as an ion in the body. The predominant form is inorganic arsenic in drinking water, which is both highly toxic and carcinogenic and rapidly bioavailable. Arsenic is currently one of the most important environmental global contaminants and toxicants, particularly in the developing countries. For decades, very large populations have been and are currently still exposed to inorganic Arsenic through geogenically contaminated drinking water. An increased incidence of disease mediated by this toxicant is the consequence of long-term exposure. In human's chronic ingestion of inorganic arsenic (> 500 mg/L As) has been associated with cardiovascular, nervous, hepatic and renal diseases and diabetes mellitus as well as cancer of the skin, bladder, lung, liver and prostate. Contrary to the earlier view that methylated compounds are innocuous, the methylated metabolites are now recognized to be both toxic and carcinogenic, possibly due to genotoxicity, inhibition of antioxidative enzyme functions, or other mechanisms. Arsenic inhibits indirectly sulfhydryl containing enzymes and interferes with cellular metabolism. Effects involve such phenomena as cytotoxicity, genotoxicity and inhibition of enzymes with antioxidant function. These are all related to nutritional factors directly or indirectly. Nutritional studies both in experimental and epidemiological studies provide convincing evidence that nutritional intervention, including chemoprevention, offers a pragmatic approach to mitigate the health effects of arsenic exposure, particularly cancer, in the relatively resource-poor developing countries. Nutritional intervention, especially with micronutrients, many of which are antioxidants and share the same pathway with Arsenic , appears a host defence against the health effects of arsenic contamination in developing countries and should be embraced as it is pragmatic and inexpensive. (PMID: 17477765, 17179408)
CAS Number7440-38-2
Structure
Thumb
Synonyms
SynonymSource
[AsH3]ChEBI
Arsenic trihydrideChEBI
Arsenous hydrideChEBI
ArsenwasserstoffChEBI
ArsineChEBI
AsChEBI
AsH3ChEBI
Agent sabiospider
ARSbiospider
Arsenbiospider
Arsenic [UN1558] [Poison]biospider
Arsenic and arsenic compoundsbiospider
Arsenic and certain arsenic compoundsbiospider
Arsenic and compoundsbiospider
Arsenic blackbiospider
Arsenic compoundsbiospider
Arsenic elementalbiospider
Arsenic hydridebiospider
Arsenic hydride (AsH3)biospider
Arsenic-75biospider
ARSENIC, 99.999%biospider
Arsenic, elementalbiospider
Arsenic, inorganicbiospider
Arsenic, Isotope Of Mass 72biospider
Arsenic, organic compoundsbiospider
Arsenic, water-soluble compounds, n.o.sbiospider
Arsenic, water-soluble compounds, n.o.s.biospider
Arsenicalsbiospider
Arsenicobiospider
Arsenicumbiospider
Arsenicum Album 3ch-30ch Granulesbiospider
Arsenicum Iodatum 3ch-30chbiospider
Arseniuretted hydrogenbiospider
Arsenowodorbiospider
Arsine [UN2188] [Poison gas]biospider
ASbiospider
As(3+)ChEBI
Colloidal arsenicbiospider
Compounds, arsenicbiospider
Gray arsenicbiospider
Grey arsenicbiospider
Hydrogen arsenidebiospider
Metallic arsenicbiospider
Trisenoxbiospider
Predicted Properties
PropertyValueSource
logP-0.23ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity2.4 m³·mol⁻¹ChemAxon
Polarizability3.4 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Chemical FormulaAsH3
IUPAC namearsane
InChI IdentifierInChI=1S/AsH3/h1H3
InChI KeyRBFQJDQYXXHULB-UHFFFAOYSA-N
Isomeric SMILES[AsH3]
Average Molecular Weight77.9454
Monoisotopic Molecular Weight77.945071513
Classification
Description belongs to the class of inorganic compounds known as trivalent inorganic arsenic compounds. These are inorganic compounds containing a trivalent arsenic atom.
KingdomInorganic compounds
Super ClassMiscellaneous inorganic compounds
ClassInorganic arsenic compounds
Sub ClassTrivalent inorganic arsenic compounds
Direct ParentTrivalent inorganic arsenic compounds
Alternative Parents
Substituents
  • Trivalent inorganic arsenic compound
  • Miscellaneous mixed metal/non-metal
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties - Experimental
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting Point> 615 oC
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
Spectrum TypeDescriptionSplash KeyView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-004i-9000000000-212e9c44fb5c5da2c9c0JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-004i-9000000000-212e9c44fb5c5da2c9c0JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-004i-9000000000-212e9c44fb5c5da2c9c0JSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-004i-9000000000-a44769402bb8122aaa3eJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-004i-9000000000-a44769402bb8122aaa3eJSpectraViewer
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9000000000-a44769402bb8122aaa3eJSpectraViewer
ChemSpider ID94549
ChEMBL IDNot Available
KEGG Compound IDC06269
Pubchem Compound ID104734
Pubchem Substance IDNot Available
ChEBI ID27563
Phenol-Explorer IDNot Available
DrugBank IDNot Available
HMDB IDHMDB02290
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDARSENIC
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / Bioactivities
DescriptorIDDefinitionReference
anorexic50780 An agent which regulates the physiologic mechanisms that control the appetite and food intake.DUKE
pesticide25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.DUKE
Enzymes
NameGene NameUniProt ID
ATPase ASNA1ASNA1O43681
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).
— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).