Trimagnesium dicitrate (CED0006154)

Record Information
Version1.0
Creation Date2026-04-05 19:27:54 UTC
Update Date2026-05-14 19:07:02 UTC
Accession NumberCHEM107086
Identification
Common NameTrimagnesium dicitrate
ClassSmall Molecule
Description
Trimagnesium dicitrate is an organic compound with the chemical formula C6H8O7.3/2Mg and an average molecular weight of 451.11 g/mol. Trimagnesium dicitrate belongs to the tricarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from 15 recorded sources across several categories. In the realm of healthcare, pharmaceuticals, and veterinary products, it is utilized in minerals, irrigating solutions, and drugs for constipation. Within food, food processing, and cookware, it is associated with the treatment of hops and the preparation of wort and vinegar. Its presence is also noted in household cleaning and consumer products, specifically in soap dispensers, other smoking requisites, and non-electric simulated smoking devices. Additionally, it is found in building and construction materials such as floors and ceilings, as well as in electrical and electronic equipment, including antennas, coils, gas-filled discharge tubes with solid cathodes, and communication cables or conductors. Recorded exposure routes for the compound include oral, rectal, topical, and irrigation.
Contaminant TypeNot Available
Chemical Structure
SynonymsNot Available
Chemical FormulaC6H8O7.3/2Mg
Average Molecular Mass451.113 g/mol
Monoisotopic Mass449.962 g/mol
CAS Registry Number3344-18-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Mg+2].[Mg+2].[Mg+2]
InChI IdentifierInChI=1/2C6H8O7.3Mg/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 KeyPLSARIKBYIPYPF-UHFFFAOYSA-H
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
3104.0Log mg/kg[1700:5500]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
253Drugs for constipationHealthcare, pharmaceuticals & veterinary productsNot Available
268MineralsHealthcare, pharmaceuticals & veterinary productsNot Available
279Irrigating solutionsHealthcare, pharmaceuticals & veterinary productsNot Available
495CeilingsBuilding & ConstructionNot Available
497FloorsBuilding & ConstructionNot Available
506AntennasElectrical & Electronic EquipmentNot Available
508CoilsElectrical & Electronic EquipmentNot Available
510Communication Cables Or ConductorsElectrical & Electronic EquipmentNot Available
523Gas Filled Discharge Tubes With Solid CathodeElectrical & Electronic EquipmentNot Available
548Preparation Of VinegarFood, food processing & cookwareNot Available
550Preparation Of WortFood, food processing & cookwareNot Available
553Treatment Of HopsFood, food processing & cookwareNot Available
559Non Electric Simulated Smoking DevicesHousehold cleaning & consumer productsNot Available
560Other Smoking RequisitesHousehold cleaning & consumer productsNot Available
564Soap DispensersHousehold cleaning & consumer productsNot Available
578Making CigarsIndustrial manufacturing & chemical processingNot Available
579Manufacture Of Iron Or SteelIndustrial manufacturing & chemical processingNot Available
612Body Washing Or Cleaning ImplementsPersonal care & cosmeticsNot Available
Pathways
2 pathways
Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureFree fatty acid receptor 3B2GV46Rattus norvegicusPredicted (SEA)2.56902
Click to view 3D structureCarnitine O-palmitoyltransferase 2, mitochondrialP23786HumansPredicted (SEA)1480.77
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)1705.13
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)1381.75
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)5478.25
Click to view 3D structureExcitatory amino acid transporter 3P51907Rattus norvegicusPredicted (SEA)37.2119
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)55.8957
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)631.746
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)64.0699
Click to view 3D structureIsopentenyl-diphosphate Delta-isomerase 1O35760Rattus norvegicusPredicted (SEA)4.20386
Click to view 3D structureFarnesyl pyrophosphate synthaseP05369Rattus norvegicusPredicted (SEA)4.20386
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)74.1125
3-dehydroquinate dehydratase structureClick to view 3D structure3-dehydroquinate dehydrataseP15474Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)Predicted (SEA)8.71911
Solute carrier family 13 member 2 structureClick to view 3D structureSolute carrier family 13 member 2Q13183HumansPredicted (SEA)493.486
Click to view 3D structureNa(+)/citrate cotransporterQ8CJ44Rattus norvegicusPredicted (SEA)493.486
Click to view 3D structureNa(+)/citrate cotransporterQ67BT3Mus musculusPredicted (SEA)493.486
Click to view 3D structurePerilipin-1O60240HumansPredicted (SEA)4168.75
3-dehydroquinate dehydratase structureClick to view 3D structure3-dehydroquinate dehydrataseQ48255Helicobacter pylori (strain ATCC 700392 / 26695)Predicted (SEA)4.28171
Click to view 3D structureMitochondrial carnitine/acylcarnitine carrier proteinO43772HumansPredicted (SEA)69.5194
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)36.8227
Click to view 3D structure3-isopropylmalate dehydrogenaseQ5SIY4Thermus thermophilusPredicted (SEA)4.98235
Click to view 3D structureATP-citrate synthaseP16638Rattus norvegicusPredicted (SEA)16.8933
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)55.6622
Egl nine homolog 1 structureClick to view 3D structureEgl nine homolog 1Q9GZT9HumansPredicted (SEA)5531.97
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)2522.78
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available