FERROUS CARBONATE (CED0001555)

Record Information

Version

1.0

Creation Date

2016-05-19 02:06:10 UTC

Update Date

2026-05-14 19:36:10 UTC

Accession Number

CHEM005753

Identification

Common Name

FERROUS CARBONATE

Class

Small Molecule

Description

Ferrous carbonate is a chemical compound with the formula CFeO3 and an average molecular weight of 115.85 g/mol. FERROUS CARBONATE belongs to the organic carbonic acids, a subclass of organic carbonic acids and derivatives within the organic compounds. This substance is found in or released from 25 recorded sources. Within the category of electrical and electronic equipment, it is associated with antennas, coils, auxiliary devices, cores yokes or armatures, and conductors or conductive bodies characterised by the conductive materials, among 11 other sources. In the realm of household cleaning and consumer products, it is identified in soap detergents, tobacco product cases, pipe accessories, cigar cigarettes, and non electric simulated smoking devices. Additionally, the compound is linked to food, food processing and cookware, specifically in food preservation and fermentation processes for beer, as well as the preparation of wine or sparkling wine. In the building and construction sector, ferrous carbonate is found in ceilings.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Ferrous monocarbonate	ChEBI
Iron carbonate	ChEBI
Iron II carbonate	ChEBI
Iron(II) carbonate	ChEBI
Iron(2+) carbonate	ChEBI
Siderite	ChEBI
Ferrous monocarbonic acid	Generator
Iron carbonic acid	Generator
Iron II carbonic acid	Generator
Iron(II) carbonic acid	Generator
Iron(2+) carbonic acid	Generator
Iron(II) carbonic acid (feco3)	Generator
FeCO3	MeSH
Ferrous carbonic acid	Generator

Chemical Formula

CFeO₃

Average Molecular Mass

115.854 g/mol

Monoisotopic Mass

115.920 g/mol

CAS Registry Number

563-71-3

IUPAC Name

λ²-iron(2+) ion carbonate

Traditional Name

λ²-iron(2+) ion carbonate

SMILES

[Fe++].[O-]C([O-])=O

InChI Identifier

InChI=1S/CH2O3.Fe/c2-1(3)4;/h(H2,2,3,4);/q;+2/p-2

InChI Key

RAQDACVRFCEPDA-UHFFFAOYSA-L

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 transition metal salt
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organic salt
Organooxygen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

one-carbon compound (CHEBI:86235 )
carbonate salt (CHEBI:86235 )
iron molecular entity (CHEBI:86235 )
carbonate mineral (CHEBI:86235 )

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

Property	Value	Source
Water Solubility	75.1 g/L	ALOGPS
logP	0.42	ALOGPS
logP	0.25	ChemAxon
logS	-0.35	ALOGPS
pKa (Strongest Acidic)	6.05	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	63.19 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	31.17 m³·mol⁻¹	ChemAxon
Polarizability	3.52 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-014l-8900000000-7026d1569e199bfe7399	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0900000000-481ee1f81843ac6922fb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-1900000000-c5a155c3f743e1ce96f4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-2900000000-0cd626a658e40adce9bd	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
10	Insecticides	Agriculture & land management	Not Available
495	Ceilings	Building & Construction	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
508	Coils	Electrical & Electronic Equipment	Not Available
511	Conductors Or Conductive Bodies Characterised By The Conductive Materials	Electrical & Electronic Equipment	Not Available
513	Cores Yokes Or Armatures	Electrical & Electronic Equipment	Not Available
514	Discharge Lamps	Electrical & Electronic Equipment	Not Available
517	Electric Switches	Electrical & Electronic Equipment	Not Available
518	Electrically Stimulated Smoking Devices	Electrical & Electronic Equipment	Not Available
519	Electrodes	Electrical & Electronic Equipment	Not Available
521	Fixed Capacitors And Their Manufacture	Electrical & Electronic Equipment	Not Available
524	Hybrid Capacitors	Electrical & Electronic Equipment	Not Available
527	Magnets	Electrical & Electronic Equipment	Not Available
530	Radio Transmission Systems	Electrical & Electronic Equipment	Not Available
531	Relays	Electrical & Electronic Equipment	Not Available
533	Sparking Plugs	Electrical & Electronic Equipment	Not Available
538	Thin Magnetic Films	Electrical & Electronic Equipment	Not Available
544	Fermentation Processes For Beer	Food, food processing & cookware	Not Available
545	Food Preservation	Food, food processing & cookware	Not Available
549	Preparation Of Wine Or Sparkling Wine	Food, food processing & cookware	Not Available
556	Cigar Cigarettes	Household cleaning & consumer products	Not Available
559	Non Electric Simulated Smoking Devices	Household cleaning & consumer products	Not Available
562	Pipe Accessories	Household cleaning & consumer products	Not Available
563	Soap Detergents	Household cleaning & consumer products	Not Available
567	Tobacco Product Cases	Household cleaning & consumer products	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
580	Manufacture Preparation Of Tobacco Products	Industrial manufacturing & chemical processing	Not Available
581	Paper Making Machines	Industrial manufacturing & chemical processing	Not Available
596	Acaricides	Agriculture & land management	Not Available
597	Chemosterilants	Agriculture & land management	Not Available
600	Herbicides And Algicides	Agriculture & land management	Not Available
602	Molluscicides	Agriculture & land management	Not Available
603	Nematocides	Agriculture & land management	Not Available
604	Pest Attractants	Agriculture & land management	Not Available
605	Pest Repellants	Agriculture & land management	Not Available
606	Plant Growth Regulators	Agriculture & land management	Not Available
607	Rodenticides(1)	Agriculture & land management	Not Available
608	Rodenticides	Agriculture & land management	Not Available
610	Aftersun Products	Personal care & cosmetics	Not Available
611	Anti Perspirants Or Body Deoderants	Personal care & cosmetics	Not Available
615	Eye Makeup Products	Personal care & cosmetics	Not Available
618	Lip Makeup Products	Personal care & cosmetics	Not Available
632	Apparel	Textiles, leather & furnishings	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available
643	Headwear	Textiles, leather & furnishings	Not Available
650	Purses Luggage Hand Bags	Textiles, leather & furnishings	Not Available
651	Purses Money Bags Wallets	Textiles, leather & furnishings	Not Available
659	Transfer Printing	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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)	0.233548
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	2200.8
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	153.519
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	1.08989
Click to view 3D structure	Fumarate hydratase, mitochondrial	P10173	Sus scrofa	Predicted (SEA)	1.40129
Click to view 3D structure	Egl nine homolog 1	Q9GZT9	Humans	Predicted (SEA)	3560.67
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	53.2489
Click to view 3D structure	Beta-lactamase VIM-1	Q9XAY4	Pseudomonas aeruginosa	Predicted (SEA)	9.809
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6790.71
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	35.5771
Click to view 3D structure	Sodium- and chloride-dependent GABA transporter 2	P31646	Rattus norvegicus	Predicted (SEA)	59.399
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	6601.3
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7483.49
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	7057.34
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	7386.1
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	6814.61
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	6890.28
Click to view 3D structure	Carnitine O-palmitoyltransferase 2, mitochondrial	P23786	Humans	Predicted (SEA)	4633.66
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	5012.71
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	4944.44
Click to view 3D structure	Lysine-specific demethylase 5C	P41229	Humans	Predicted (SEA)	6512.4
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	4837.78
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	7145.86
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	7287.47
Click to view 3D structure	Carbonic anhydrase 15	Q99N23	Mus musculus	Predicted (SEA)	6572.11