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Record Information
Version3.6
Creation Date2009-01-29 16:21:40 UTC
Update Date2016-02-11 01:21:48 UTC
HMDB IDHMDB11620
Secondary Accession NumbersNone
Metabolite Identification
Common NameArsenite
DescriptionIn chemistry an arsenite is a chemical compound containing an arsenic oxoanion where arsenic has oxidation state +3. Examples of arsenites include sodium arsenite which contains a polymeric linear anion, [AsO2−]n, silver arsenite, Ag3AsO3, which contains the trigonal, [AsO3]3− anion, sometimes called ortho-arsenite. Arsenite contrasts to the corresponding anions of the lighter members of group 15, phosphite which has the structure [HPO3]2− and nitrite, NO2− which is planar. Sodium arsenite is used in the water gas shift reaction to remove carbon dioxide. Arsenic Trioxide is indicated for induction of remission and consolidation in patients with acute promyelocytic leukemia (APL) who are refractory to, or have relapsed from, retinoid and anthracycline chemotherapy.(Wikipedia).
Structure
Thumb
Synonyms
ValueSource
[AsO3](3-)ChEBI
ArseniteChEBI
AsO3(3-)ChEBI
AArsenite (aso33-)HMDB
Arsenic (III) oxideHMDB
Arsenic (III) trioxideHMDB
Arsenic sesquioxideHMDB
Arsenic trioxideHMDB
Arsenous acid anhydrideHMDB
Arsenous acid ion(3-)HMDB
Arsenous anhydrideHMDB
Arsenous oxide anhydrideHMDB
Arsenous trioxideHMDB
Diarsenic trioxideHMDB
Diarsonic trioxideHMDB
Trioxidoarsenate(3-)HMDB
Trioxoarsenate(3-)HMDB
Trioxoarsenate(III)HMDB
Chemical FormulaAsO3
Average Molecular Weight122.9198
Monoisotopic Molecular Weight122.906340283
IUPAC Namearsorite
Traditional Namearsenite(3-)
CAS Registry Number15502-74-6
SMILES
[O-][As]([O-])[O-]
InChI Identifier
InChI=1S/AsO3/c2-1(3)4/q-3
InChI KeyInChIKey=OWTFKEBRIAXSMO-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of inorganic compounds known as miscellaneous arsenites. These are inorganic compounds in which the largest metallic oxoanion is arsenite, to which either no atom or a non metal atom is bonded.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
Sub ClassMiscellaneous metallic oxoanionic compounds
Direct ParentMiscellaneous arsenites
Alternative Parents
Substituents
  • Arsenite
  • Trivalent inorganic arsenic compound
  • Inorganic oxide
  • Inorganic metalloid salt
  • Inorganic arsenic compound
  • Acyclic compound
Molecular FrameworkAcyclic compounds
External Descriptors
Ontology
StatusDetected and Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point465 °CNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.86ChemAxon
pKa (Strongest Acidic)6.84ChemAxon
pKa (Strongest Basic)-6.2ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area69.18 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity4.33 m3·mol-1ChemAxon
Polarizability5.46 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biofluid Locations
  • Cerebrospinal Fluid (CSF)
Tissue LocationNot Available
PathwaysNot Available
Normal Concentrations
Not Available
Abnormal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
Cerebrospinal Fluid (CSF)Detected and Quantified0.095 (0.0035-0.31) uMAdult (>18 years old)Both
Acute promyelocytic leukemia (APL)
details
Associated Disorders and Diseases
Disease References
Acute promyelocytic leukemia
  1. Au WY, Tam S, Fong BM, Kwong YL: Determinants of cerebrospinal fluid arsenic concentration in patients with acute promyelocytic leukemia on oral arsenic trioxide therapy. Blood. 2008 Nov 1;112(9):3587-90. Epub 2008 Aug 14. [18703707 ]
Associated OMIM IDsNone
DrugBank IDNot Available
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDFDB028324
KNApSAcK IDNot Available
Chemspider ID529
KEGG Compound IDC06697
BioCyc IDCPD-763
BiGG IDNot Available
Wikipedia Linkarsenite
NuGOwiki LinkHMDB11620
Metagene LinkHMDB11620
METLIN IDNot Available
PubChem Compound544
PDB IDAST
ChEBI ID29866
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available

Enzymes

General function:
Involved in methyltransferase activity
Specific function:
Catalyzes the transfer of a methyl group from AdoMet to trivalent arsenicals producing methylated and dimethylated arsenicals. It methylates arsenite to form methylarsonate, Me-AsO(3)H(2), which is reduced by methylarsonate reductase to methylarsonite, Me-As(OH)2. Methylarsonite is also a substrate and it is converted into the much less toxic compound dimethylarsinate (cacodylate), Me(2)As(O)-OH (By similarity).
Gene Name:
AS3MT
Uniprot ID:
Q9HBK9
Molecular weight:
41747.49
Reactions
S-Adenosylmethionine + Arsenite → S-Adenosylhomocysteine + Methylarsonatedetails
General function:
Involved in ATP binding
Specific function:
ATPase required for the post-translational delivery of tail-anchored (TA) proteins to the endoplasmic reticulum. Recognizes and selectively binds the transmembrane domain of TA proteins in the cytosol. This complex then targets to the endoplasmic reticulum by membrane-bound receptors, where the tail- anchored protein is released for insertion. This process is regulated by ATP binding and hydrolysis. ATP binding drives the homodimer towards the closed dimer state, facilitating recognition of newly synthesized TA membrane proteins. ATP hydolysis is required for insertion. Subsequently, the homodimer reverts towards the open dimer state, lowering its affinity for the membrane-bound receptor, and returning it to the cytosol to initiate a new round of targeting. May be involved in insulin signaling
Gene Name:
ASNA1
Uniprot ID:
O43681
Molecular weight:
38792.4