Digadolinium tricarbonate (CED0165347)

Record Information

Version

1.0

Creation Date

2026-04-05 19:23:10 UTC

Update Date

2026-04-05 19:23:10 UTC

SynCED ID

CED0165347

Secondary Accession Numbers

CHEM106939

Identification

Common Name

Digadolinium tricarbonate

Class

Small Molecule

Description

Digadolinium tricarbonate belongs to the organic carbonic acids, a subclass of organic carbonic acids and derivatives within the organic compounds. It has the chemical formula CH2O3.2/3Gd.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Carbonate, gadolinium(3+) salt (3:2)	Generator

Chemical Formula

CH₂O₃.₂/₃Gd

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/3CH2O3.2Gd/c3*2-1(3)4;;/h3*(H2,2,3,4);;/q;;;2*+3/p-6

InChI Key

RQXZRSYWGRRGCD-UHFFFAOYSA-H

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as organic carbonic acids. Organic carbonic acids are compounds comprising the carbonic acid functional group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Organic carbonic acids and derivatives

Sub Class

Organic carbonic acids

Direct Parent

Organic carbonic acids

Alternative Parents

Substituents

Carbonate salt
Carbonic acid
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Not Available

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
8206.0 Log mg/kg [4600:15000]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000521	Fixed Capacitors And Their Manufacture?Fixed capacitors are passive electronic components used to store and release electrical energy, playing a critical role in various circuits.	Electrical & Electronic Equipment	PubChem
CEDs000664	Fire Fighting Gels?Fire fighting gels are synthetic chemical formulations designed to enhance fire suppression effectiveness by creating a protective barrier against heat and flames.	Fire suppression systems & agents	PubChem
CEDs000665	Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.	Fire suppression systems & agents	PubChem
CEDs000670	Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.	Fire suppression systems & agents	PubChem
CEDs000679	Phosphatic Fertilisers?Phosphatic fertilizers are synthetic chemical products primarily composed of phosphorus, which is essential for plant growth.	Agriculture & land management	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000734	Coating Compositions?Coating compositions, which include paints, sealants, and varnishes, are formulated with a variety of synthetic chemicals such as solvents, resins, pigments, and additives.	Building & Construction	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.227 Low confidence Statistical Significance 3.00e-05 Supporting Reference Compounds 1 E-value 0.233548
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.357 Statistical Significance 1.40e-04 Supporting Reference Compounds 2 E-value 1.08989
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.333 Statistical Significance 0.6225 Supporting Reference Compounds 372 E-value 4846.43
Click to view 3D structure	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.188 Applicability Domain 0.188 Low confidence Statistical Significance 1.80e-04 Supporting Reference Compounds 1 E-value 1.40129
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.333 Statistical Significance 0.057 Supporting Reference Compounds 43 E-value 443.818
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.235 Low confidence Statistical Significance 0.4574 Supporting Reference Compounds 41 E-value 3560.67
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.235 Low confidence Statistical Significance 0.0068 Supporting Reference Compounds 9 E-value 53.2489
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 9.809
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.211 Low confidence Statistical Significance 0.8723 Supporting Reference Compounds 407 E-value 6790.71
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 2 E-value 35.5771
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 1 E-value 59.399
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.211 Low confidence Statistical Significance 0.848 Supporting Reference Compounds 193 E-value 6601.3
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.167 Low confidence Statistical Significance 0.9613 Supporting Reference Compounds 472 E-value 7483.49
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.167 Low confidence Statistical Significance 0.9065 Supporting Reference Compounds 242 E-value 7057.34
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.167 Low confidence Statistical Significance 0.9488 Supporting Reference Compounds 332 E-value 7386.1
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.167 Low confidence Statistical Significance 0.8754 Supporting Reference Compounds 151 E-value 6814.61
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.167 Low confidence Statistical Significance 0.8851 Supporting Reference Compounds 172 E-value 6890.28
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.208 Low confidence Statistical Significance 0.5952 Supporting Reference Compounds 14 E-value 4633.66
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.167 Low confidence Statistical Significance 0.6439 Supporting Reference Compounds 40 E-value 5012.71
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.167 Low confidence Statistical Significance 0.6351 Supporting Reference Compounds 55 E-value 4944.44
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.15 Low confidence Statistical Significance 0.8365 Supporting Reference Compounds 45 E-value 6512.4
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.167 Low confidence Statistical Significance 0.6214 Supporting Reference Compounds 64 E-value 4837.78
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.167 Low confidence Statistical Significance 0.9179 Supporting Reference Compounds 157 E-value 7145.86
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.167 Low confidence Statistical Significance 0.9361 Supporting Reference Compounds 165 E-value 7287.47
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.167 Low confidence Statistical Significance 0.8442 Supporting Reference Compounds 78 E-value 6572.11