ContaminantDB: Cobalt(II) citrate

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References Targets (60)XML

Record Information

Version

1.0

Creation Date

2009-06-19 21:58:43 UTC

Update Date

2026-04-05 17:41:08 UTC

Accession Number

CHEM001197

Identification

Common Name

Cobalt(II) citrate

Class

Small Molecule

Description

Cobalt(II) citrate is a solid compound with the formula C12H10Co3O14. Cobalt(II) citrate belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 555.00 g/mol, Cobalt(II citrate) is a heavy molecule. This exogenous compound is found in or released from five recorded sources, including food, food processing and cookware such as fermentation processes for beer, as well as electrical and electronic equipment including hybrid capacitors, electric switches, coils, and thin magnetic films. The compound acts on twenty-two recorded protein targets. Cobalt inhibits heme synthesis by preventing the synthesis of 5-aminolaevulinate via the inhibition of 5-aminolevulinate synthase, mitochondrial, non-specific (ALAS1) and erythroid-specific (ALAS2). It further inhibits carbonic anhydrases, specifically Carbonic anhydrase 1 (CA1), Carbonic anhydrase 2 (CA2), and Carbonic anhydrase 4 (CA4). Cobalt(II) citrate interacts with zinc finger DNA repair proteins, such as Poly [ADP-ribose] polymerase 1 (PARP1), to inhibit DNA repair. Additionally, it interacts with specific IgA antibodies (Immunoglobulin heavy constant alpha 1 [IGHA1] and Immunoglobulin heavy constant alpha 2 [IGHA2]) and specific IgE antibodies, resulting in immunosensitization. Cobalt blocks high-voltage-activated calcium channels, which may impair neurotransmission; affected proteins include the Voltage-dependent calcium channel gamma-1 subunit (CACNG1), Voltage-dependent calcium channel subunit alpha-2/delta-1 (CACNA2D1), Voltage-dependent calcium channel subunit alpha-2/delta-2 (CACNA2D2), Voltage-dependent calcium channel subunit alpha-2/delta-3 (CACNA2D3), and ten other proteins. Finally, radioactive cobalt causes damage to lipids, RNA, and DNA through ionizing events.

Contaminant Sources

IARC Carcinogens Group 2B
T3DB toxins

Contaminant Type

Cobalt Compound
Industrial/Workplace Toxin
Organic Compound
Organometallic
Pollutant
Synthetic Compound

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Cobalt(II) citric acid	Generator

Chemical Formula

C₁₂H₁₀Co₃O₁₄

Average Molecular Mass

554.999 g/mol

Monoisotopic Mass

554.807 g/mol

CAS Registry Number

866-81-9

IUPAC Name

Not Available

Traditional Name

tris(λ²-cobalt(2+) ion) dicitrate

SMILES

[Co++].[Co++].[Co++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

InChI Identifier

InChI=1S/2C6H8O7.3Co/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6

InChI Key

IEXXNGVQCLMTKU-UHFFFAOYSA-H

Chemical Taxonomy

Description

belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Tricarboxylic acids and derivatives

Direct Parent

Tricarboxylic acids and derivatives

Alternative Parents

Substituents

Tricarboxylic acid or derivatives
Tertiary alcohol
Carboxylic acid salt
Organic transition metal salt
Carboxylic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic cobalt salt
Organic salt
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Exogenous

Cellular Locations

Cytoplasm
Extracellular

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Solid

Appearance

White powder.

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Soluble in water.

Predicted Properties

Property	Value	Source
Water Solubility	5.52 g/L	ALOGPS
logP	0.07	ALOGPS
logP	-1.3	ChemAxon
logS	-2	ALOGPS
pKa (Strongest Acidic)	3.05	ChemAxon
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	-3	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	140.62 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	68.14 m³·mol⁻¹	ChemAxon
Polarizability	14.23 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	1	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Route of Exposure

Inhalation (2) ; oral (2) ; dermal (2)

Mechanism of Toxicity

Cobalt is believed to exhibit its toxicity through a oxidant-based and free radical-based processes. It produces oxygen radicals and may be oxidized to ionic cobalt, causing increased lipid peroxidation, DNA damage, and inducing certain enzymes that lead to cell apoptosis. Cobalt has also been shown to block inorganic calcium channels, possibly impairing neurotransmission. Cobalt can also chelate lipoic acids, impairing oxidation of pyruvate or fatty acids. In addition, cobalt may inhibit DNA repair by interacting with zinc finger DNA repair proteins, and has also been shown to inhibit heme synthesis and glucose metabolism. Cobalt may activate specific helper T-lymphocyte cells and interact directly with immunologic proteins, such as antibodies (IgA and IgE) or Fc receptors, resulting in immunosensitization. (2)

Metabolism

Cobalt is absorbed though the lungs, gastrointestinal tract, and skin. Since it is a component of the vitamin B12 (cyanocobalamin), it is distributed to most tissues of the body. It is transported in the blood, often bound to albumin, with the highest levels being found in the liver and kidney. Cobalt is excreted mainly in the urine and faeces. (2)

Toxicity Values

Not Available

Lethal Dose

Not Available

Carcinogenicity (IARC Classification)

2B, possibly carcinogenic to humans. (5)

Uses/Sources

Not Available

Minimum Risk Level

Chronic Inhalation: 0.0001 mg/m3 (4) Intermediate Oral: 0.01 mg/kg/day (4)

Health Effects

Exposure to high amount of cobalt can cause heart, lung, kidney, and liver damage. Skin contact is known to result in contact dermatitis. Cobalt may also have mutagenic and carcinogenic effects. (2, 3)

Symptoms

Cobalt inhalation can cause asthma-like breathing problems. Skin contact is known to result in contact dermatitis, which is characterized by irritation and rashes. Ingesting large amounts of cobalt may cause nausea and vomiting. (6)

Treatment

Treatment of cobalt poisoning is symptomatic. (2)

Concentrations

Not Available

External Links

DrugBank ID

Not Available

HMDB ID

Not Available

FooDB ID

Not Available

Phenol Explorer ID

Not Available

KNApSAcK ID

Not Available

BiGG ID

Not Available

BioCyc ID

Not Available

METLIN ID

Not Available

PDB ID

Not Available

Wikipedia Link

Not Available

Chemspider ID

Not Available

ChEBI ID

Not Available

PubChem Compound ID

13343

Kegg Compound ID

Not Available

YMDB ID

Not Available

ECMDB ID

Not Available

References

Synthesis Reference

Not Available

MSDS

Not Available

General References

Not Available

Cobalt(II) citrate (CHEM001197)

Structure for CHEM001197: Cobalt(II) citrate