Record Information
Version 1.0
Update Date 1/22/2018 12:54:54 PM
Metabolite IDPAMDB001789
Identification
Name: Arsenate
Description:Arsenate is a member of the chemical class 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. The arsenate ion is AsO43-. An arsenate (compound) is any compound that contains this ion. Arsenates are salts or esters of arsenic acid. The arsenic atom in arsenate has a valency of 5 and is also known as pentavalent arsenic or As[V]. Arsenate resembles phosphate in many respects, since arsenic and phosphorus occur in the same group (column) of the periodic table. Arsenates are moderate oxidizers, with an electrode potential of +0.56 for reduction to arsenites. (WikiPedia)
Structure
Thumb
Synonyms:
  • Arsate
  • Arsenate ion
  • Arsenate ions
  • Arsenate(3-)
  • Arsenic acid
  • Arsenic acid ion
  • Arsenic acid ions
  • Arsenic acid(3-)
  • Arsic acid
  • Arsorate
  • Arsoric acid
  • ART
  • AsO43-
  • AsO43-
  • Inorganic arsenate
  • Inorganic arsenic acid
  • Orthoarsenate
  • Orthoarsenic acid
  • Tetraoxidoarsenate(3-)
  • Tetraoxidoarsenic acid(3-)
  • Tetraoxoarsenate(3-)
  • Tetraoxoarsenate(v)
  • Tetraoxoarsenic acid(3-)
  • Tetraoxoarsenic acid(V)
Chemical Formula: AsH3O4
Average Molecular Weight: 141.943
Monoisotopic Molecular Weight: 141.924730001
InChI Key: DJHGAFSJWGLOIV-UHFFFAOYSA-N
InChI:InChI=1S/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)
CAS number: 15584-04-0
IUPAC Name:arsoric acid
Traditional IUPAC Name: arsenic acid
SMILES:O[As](O)(O)=O
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of inorganic compounds known as miscellaneous arsenates. These are inorganic compounds in which the largest metallic oxoanion is arsenate, to which either no atom or a non metal atom is bonded.
Kingdom Inorganic compounds
Super ClassMixed metal/non-metal compounds
Class Miscellaneous mixed metal/non-metals
Sub ClassMiscellaneous metallic oxoanionic compounds
Direct Parent Miscellaneous arsenates
Alternative Parents
Substituents
  • Arsenate
  • Inorganic oxide
  • Inorganic metalloid salt
  • Inorganic arsenic compound
  • Acyclic compound
Molecular Framework Acyclic compounds
External Descriptors
Physical Properties
State: Solid
Charge:-2
Melting point: Not Available
Experimental Properties:
PropertyValueSource
Predicted Properties
PropertyValueSource
logP-1.2ChemAxon
pKa (Strongest Acidic)3.15ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area77.76 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.14 m3·mol-1ChemAxon
Polarizability7.07 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations: Cytoplasm
Reactions:
Pathways: Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-5ca961b72dc240c15e90View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0006-0900000000-9f9d45f54cae7c18d6d6View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0006-1900000000-4e2cd225d3f37d0bf140View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0006-0900000000-4dea009911cb3f4371c9View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0006-1900000000-9bc9e4e3396a1ba0f3e4View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0006-0900000000-5fa1856d78a4a52febc9View in MoNA
References
References: Not Available
Synthesis Reference: Not Available
Material Safety Data Sheet (MSDS) Not Available
External Links:
ResourceLink
CHEBI ID29125
HMDB IDHMDB12190
Pubchem Compound ID27401
Kegg IDC01478
ChemSpider ID229
WikipediaArsenate
BioCyc IDARSENATE
EcoCyc IDARSENATE
Ligand ExpoART

Enzymes

General function:
Involved in arsenate reductase (glutaredoxin) activity
Specific function:
Reduction of arsenate [As(V)] to arsenite [As(III)]. This protein expands the substrate specificity of ArsAB pump which can extrude arsenite and antimonite to allow for arsenate pumping and resistance
Gene Name:
arsC
Locus Tag:
PA2279
Molecular weight:
16.6 kDa
Reactions
Arsenate + glutaredoxin = arsenite + glutaredoxin disulfide + H(2)O.

Transporters

General function:
Involved in inorganic phosphate transmembrane transporter activity
Specific function:
Low-affinity inorganic phosphate transport. Can also transport arsenate
Gene Name:
pitA
Locus Tag:
PA4292
Molecular weight:
52.9 kDa