Record Information
Version2.0
Creation Date2014-08-29 04:48:24 UTC
Update Date2014-12-24 20:26:35 UTC
Accession NumberT3D3975
Identification
Common NameThallium
ClassSmall Molecule
DescriptionThallium is a chemical element with symbol Tl and atomic number 81. This soft gray post-transition metal is not found free in nature. When isolated, it resembles tin, but discolors when exposed to air. Thallium tends to oxidize to the +3 and +1 oxidation states as ionic salts. The +3 state resembles that of the other elements in thallium's group (boron, aluminum, gallium, indium). However, the +1 state, which is far more prominent in thallium than the elements above it, recalls the chemistry of alkali metals, and thallium(I) ions are found geologically mostly in potassium-based ores, and (when ingested) are handled in many ways like potassium ions (K+) by ion pumps in living cells. Thallium and its compounds are extremely toxic, and should be handled with great care. There are numerous recorded cases of fatal thallium poisoning. Contact with skin is dangerous, and adequate ventilation should be provided when melting this metal.
Compound Type
  • Indicator and Reagent
  • Industrial/Workplace Toxin
  • Inorganic Compound
  • Metabolite
  • Pollutant
  • Synthetic Compound
Chemical Structure
Thumb
Synonyms
Synonym
81Tl
Talio
Tl
Chemical FormulaTl
Average Molecular Mass204.383 g/mol
Monoisotopic Mass204.974 g/mol
CAS Registry Number7440-28-0
IUPAC Nameλ¹-thallanylium
Traditional Nameλ¹-thallanylium
SMILES[Tl+]
InChI IdentifierInChI=1S/Tl/q+1
InChI KeyInChIKey=ZLUSCZLCHQSJRU-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of inorganic compounds known as homogeneous post-transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a post-transition metal atom.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous post-transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous post-transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous post-transition metal
Molecular FrameworkNot Available
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoplasm
  • Extracellular
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceSilvery white solid.
Experimental Properties
PropertyValue
Melting Point303.5°C
Boiling Point1473 °C
SolubilityThallium(I) compounds have a high aqueous solubility.
LogPNot Available
Predicted Properties
PropertyValueSource
logP0.03ChemAxon
pKa (Strongest Acidic)1.11ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash KeyDeposition DateView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-0090000000-41642f7e7845fd421f8d2016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-0090000000-41642f7e7845fd421f8d2016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-0090000000-41642f7e7845fd421f8d2016-08-01View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0a4i-0090000000-202c86bb468a449bcce92016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0a4i-0090000000-202c86bb468a449bcce92016-08-03View Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0a4i-0090000000-202c86bb468a449bcce92016-08-03View Spectrum
Toxicity Profile
Route of ExposureDermal; inhalation; ingestion
Mechanism of ToxicityThallium(I) compounds have a high aqueous solubility and are readily absorbed through the skin. Part of the reason for thallium's high toxicity is that, when present in aqueous solution as the univalent thallium(I) ion (Tl+), it exhibits some similarities with essential alkali metal cations, particularly potassium (due to similar atomic radii). It can thus enter the body via potassium uptake pathways. Other aspects of thallium's chemistry differ strongly from that of the alkali metals, such its high affinity for sulfur ligands. Thus this substitution disrupts many cellular processes (for instance, thallium may attack sulfur-containing proteins such as cysteine residues and ferredoxins). (Wikipedia) A 2013 study found evidence that the thallium(I)-induced liver toxicity is a result of the disruptive effect of this metal on the mitochondrial respiratory complexes (I, II, and IV), which are the obvious causes of metal-induced reactive oxygen species formation and ATP depletion. The latter two events, in turn, trigger cell death signaling via opening of mitochondrial permeability transition pore and cytochrome c expulsion. (1)
MetabolismThallium is rapidly distributed throughout all tissues of the body. Most thallium is excreted by the faecal route but up to 35% may be excreted by the kidneys. (2)
Toxicity ValuesNot Available
Lethal DoseThe lethal dose is around 15 to 20 mg per kg body weight but serious toxicity and even death can occur with rather less. (2)
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesThallium(I) ions are found geologically mostly in potassium-based ores. Commercially, however, thallium is produced not from potassium ores, but as a byproduct from refining of heavy metal sulfide ores. Approximately 60–70% of thallium production is used in the electronics industry, and the remainder is used in the pharmaceutical industry and in glass manufacturing. It is also used in infrared detectors. The radioisotope thallium-201 (as the soluble chloride TlCl) is used in small, nontoxic amounts as an agent in a nuclear medicine scan, during one type of nuclear cardiac stress test. Soluble thallium salts were historically used in rat poisons and insecticides. Because of its historic popularity as a murder weapon, thallium has gained notoriety as "the poisoner's poison" and "inheritance powder" (alongside arsenic). (Wikipedia)
Minimum Risk LevelNot Available
Health EffectsAmong the distinctive effects of thallium poisoning are loss of hair (which led to its initial use as a depilatory before its toxicity was properly appreciated) and damage to peripheral nerves (victims may experience a sensation of walking on hot coals), although the loss of hair only generally occurs in low doses; in high doses the thallium kills before this can take effect. (Wikipedia) Thallium toxicity is complex and severe. It affects several systems in human body, including liver, gastrointestinal, cardiovascular, reproductive, renal, and nervous systems. Among them, liver is an important organ which possibly assists metabolic reduction of metals; hence, it could be a noticeable organ for thallium toxicity. This is confirmed by the other study on thallium-induced toxicity in experimental animals which reported highest accumulation in liver, kidney, and ileum. (1)
SymptomsNausea and vomiting; painful peripheral neuropathy; alopecia. (2)
TreatmentOne of the main methods of removing thallium (both radioactive and normal) from humans is to use Prussian blue, which is a material which absorbs thallium. Up to 20 g per day of Prussian blue is fed by mouth to the person, and it passes through their digestive system and comes out in the stool. Hemodialysis and hemoperfusion are also used to remove thallium from the blood serum. At later stage of the treatment additional potassium is used to mobilize thallium from the tissue.
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
DrugBank IDNot Available
HMDB IDHMDB13724
PubChem Compound ID24642
ChEMBL IDNot Available
ChemSpider ID23044
KEGG IDC15226
UniProt IDNot Available
OMIM ID
ChEBI ID37117
BioCyc IDNot Available
CTD IDNot Available
Stitch IDNot Available
PDB IDNot Available
ACToR IDNot Available
Wikipedia LinkThallium
References
Synthesis ReferenceNot Available
MSDST3D3975.pdf
General References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
  2. Patient.co.uk - Thallium Poisoning [Link]
Gene Regulation
Up-Regulated GenesNot Available
Down-Regulated GenesNot Available

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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
General Function:
Nadh dehydrogenase (ubiquinone) activity
Specific Function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity). This is the largest subunit of complex I and it is a component of the iron-sulfur (IP) fragment of the enzyme. It may form part of the active site crevice where NADH is oxidized.
Gene Name:
NDUFS1
Uniprot ID:
P28331
Molecular Weight:
79466.77 Da
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
General Function:
Ubiquinone binding
Specific Function:
Membrane-anchoring subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
Gene Name:
SDHD
Uniprot ID:
O14521
Molecular Weight:
17042.82 Da
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
General Function:
Succinate dehydrogenase activity
Specific Function:
Flavoprotein (FP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q). Can act as a tumor suppressor.
Gene Name:
SDHA
Uniprot ID:
P31040
Molecular Weight:
72690.975 Da
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
General Function:
Ubiquinone binding
Specific Function:
Iron-sulfur protein (IP) subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
Gene Name:
SDHB
Uniprot ID:
P21912
Molecular Weight:
31629.365 Da
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
General Function:
Succinate dehydrogenase activity
Specific Function:
Membrane-anchoring subunit of succinate dehydrogenase (SDH) that is involved in complex II of the mitochondrial electron transport chain and is responsible for transferring electrons from succinate to ubiquinone (coenzyme Q).
Gene Name:
SDHC
Uniprot ID:
Q99643
Molecular Weight:
18610.03 Da
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
General Function:
Ribonuclease inhibitor activity
Specific Function:
Antagonizes the binding of 2-5A (5'-phosphorylated 2',5'-linked oligoadenylates) by RNase L through direct interaction with RNase L and therefore inhibits its endoribonuclease activity. May play a central role in the regulation of mRNA turnover. Antagonizes the anti-viral effect of the interferon-regulated 2-5A/RNase L pathway. May act as a chaperone for post-translational events during HIV-1 capsid assembly.
Gene Name:
ABCE1
Uniprot ID:
P61221
Molecular Weight:
67313.73 Da
General Function:
Iron ion binding
Specific Function:
Participates in the synthesis of thyroid hormones. Essential for the synthesis of various steroid hormones, participates in the reduction of mitochondrial cytochrome P450 for steroidogenesis. Transfers electrons from adrenodoxin reductase to CYP11A1, a cytochrome P450 that catalyzes cholesterol side-chain cleavage.
Gene Name:
FDX1
Uniprot ID:
P10109
Molecular Weight:
19392.475 Da
General Function:
Xanthine dehydrogenase activity
Specific Function:
Oxidase with broad substrate specificity, oxidizing aromatic azaheterocycles, such as N1-methylnicotinamide and N-methylphthalazinium, as well as aldehydes, such as benzaldehyde, retinal, pyridoxal, and vanillin. Plays a key role in the metabolism of xenobiotics and drugs containing aromatic azaheterocyclic substituents. Participates in the bioactivation of prodrugs such as famciclovir, catalyzing the oxidation step from 6-deoxypenciclovir to penciclovir, which is a potent antiviral agent. Is probably involved in the regulation of reactive oxygen species homeostasis. May be a prominent source of superoxide generation via the one-electron reduction of molecular oxygen. Also may catalyze nitric oxide (NO) production via the reduction of nitrite to NO with NADH or aldehyde as electron donor. May play a role in adipogenesis.
Gene Name:
AOX1
Uniprot ID:
Q06278
Molecular Weight:
147916.735 Da
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
References
  1. Eskandari MR, Mashayekhi V, Aslani M, Hosseini MJ: Toxicity of thallium on isolated rat liver mitochondria: The role of oxidative stress and MPT pore opening. Environ Toxicol. 2013 Aug 30. doi: 10.1002/tox.21900. [23996974 ]
General Function:
Protein homodimerization activity
Specific Function:
Involved in pyrimidine base degradation. Catalyzes the reduction of uracil and thymine. Also involved the degradation of the chemotherapeutic drug 5-fluorouracil.
Gene Name:
DPYD
Uniprot ID:
Q12882
Molecular Weight:
111400.32 Da
General Function:
Nadh dehydrogenase (ubiquinone) activity
Specific Function:
Core subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed to belong to the minimal assembly required for catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone (By similarity). May donate electrons to ubiquinone.
Gene Name:
NDUFS8
Uniprot ID:
O00217
Molecular Weight:
23704.795 Da
General Function:
Succinate dehydrogenase (ubiquinone) activity
Specific Function:
Two distinct, membrane-bound, FAD-containing enzymes are responsible for the catalysis of fumarate and succinate interconversion; the fumarate reductase is used in anaerobic growth, and the succinate dehydrogenase is used in aerobic growth.
Gene Name:
sdhB
Uniprot ID:
P07014
Molecular Weight:
26769.545 Da
General Function:
Xanthine oxidase activity
Specific Function:
Key enzyme in purine degradation. Catalyzes the oxidation of hypoxanthine to xanthine. Catalyzes the oxidation of xanthine to uric acid. Contributes to the generation of reactive oxygen species. Has also low oxidase activity towards aldehydes (in vitro).
Gene Name:
XDH
Uniprot ID:
P47989
Molecular Weight:
146422.99 Da