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Arsenate (M2MDB001789)

Record Information
Version2.0
Creation Date2012-07-30 14:55:42 -0600
Update Date2015-06-03 17:21:23 -0600
Secondary Accession Numbers
  • ECMDB21394
Identification
Name:Arsenate
DescriptionArsenate 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
MOLSDFPDBSMILESInChI
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
Weight:Average: 141.943
Monoisotopic: 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
Description 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.
KingdomInorganic compounds
Super ClassMixed metal/non-metal compounds
ClassMiscellaneous mixed metal/non-metals
Sub ClassMiscellaneous metallic oxoanionic compounds
Direct ParentMiscellaneous arsenates
Alternative Parents
Substituents
  • Arsenate
  • Inorganic oxide
  • Inorganic salt
  • Inorganic metalloid salt
  • Inorganic arsenic compound
Molecular FrameworkNot Available
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 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity9.14 m³·mol⁻¹ChemAxon
Polarizability7.07 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Biological Properties
Cellular Locations:Cytoplasm
Reactions:
Arsenate + 2 Glutathione > Arsenite + Glutathione disulfide + Water
Adenosine triphosphate + Arsenate + Water > ADP + Arsenate + Phosphate + Hydrogen ion
Adenosine triphosphate + Arsenate + Water > ADP + Arsenate + Phosphate + Hydrogen ion
Arsenate + glutaredoxin > Arsenite + glutaredoxin disulfide + Water
SMPDB Pathways:Not Available
KEGG Pathways:Not Available
EcoCyc Pathways:Not Available
Concentrations
Not Available
Spectra
Spectra:
Spectrum TypeDescriptionSplash Key
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positivesplash10-00dl-0900000000-0bf57018ef75d93c7ef9View in MoNA
Predicted GC-MSPredicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, PositiveNot AvailableView in JSpectraViewer
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
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-006x-0900000000-c75179459a179f511194View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-006x-0900000000-bc3a4c3c71d7d94ab41fView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-00di-0900000000-7cba2bc739b490df9886View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0006-0900000000-20a45e765f06b45fb030View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-006x-0900000000-90f7b12c0179ec857558View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-00di-0900000000-285a424038c45e6477a5View 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

Protein Details
1. Arsenate reductase
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
Uniprot ID:
P0AB96
Molecular weight:
15853
Reactions
Arsenate + glutaredoxin = arsenite + glutaredoxin disulfide + H(2)O.
Protein Details
2. Glutaredoxin-2
General function:
Involved in protein binding
Specific function:
Involved in reducing some disulfides in a coupled system with glutathione reductase. Does not act as hydrogen donor for ribonucleotide reductase
Gene Name:
grxB
Uniprot ID:
P0AC59
Molecular weight:
24350

Transporters

Protein Details
1. Low-affinity inorganic phosphate transporter 1
General function:
Involved in inorganic phosphate transmembrane transporter activity
Specific function:
Low-affinity inorganic phosphate transport. Can also transport arsenate
Gene Name:
pitA
Uniprot ID:
P0AFJ7
Molecular weight:
53389