FERROUS GLUCONATE (CED0008689)

Record Information

Version

1.0

Creation Date

2016-05-19 02:06:13 UTC

Update Date

2026-05-14 19:42:27 UTC

Accession Number

CHEM005756

Identification

Common Name

FERROUS GLUCONATE

Class

Small Molecule

Description

Ferrous gluconate is an organic compound with the formula C12H26FeO16 and an average molecular weight of 482.17 g/mol. FERROUS GLUCONATE belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. In industrial applications, the compound is utilized as a dye, as well as a nutrient and flavouring agent. It is found in two recorded sources, specifically within antennas used in electrical and electronic equipment and antianemic preparations used in healthcare, pharmaceuticals, and veterinary products. The recorded route of exposure for this substance is oral. Ferrous gluconate interacts with thirteen recorded protein targets. These include the alpha-hemoglobin-stabilizing protein (AHSP), histone deacetylase 8 (HDAC8), Egl nine homolog 1 (EGLN1), and transferrin receptor protein 1 (TFRC), along with nine other proteins.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Enterued	Kegg
-iron(2+) ion bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid) dihydric acid	Generator
Iron(2+);(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid;dihydric acid	Generator
apo-Ferrous gluconate	MeSH
Dextriferron	MeSH
Eisen-sandoz	MeSH
FeG iron	MeSH
Fergon	MeSH
Ferrogluconaat fna	MeSH
Ferrum verla	MeSH
Loesferron	MeSH
Losferron	MeSH
Rulofer g	MeSH
Simron	MeSH
vitaferro Brause	MeSH
Ferroglucon	MeSH
Ferrous gluconate	MeSH
Ferrous gluconic acid dihydric acid	Generator

Chemical Formula

C₁₂H₂₆FeO₁₆

Average Molecular Mass

482.169 g/mol

Monoisotopic Mass

482.057 g/mol

CAS Registry Number

6047-12-7

IUPAC Name

λ²-iron(2+) ion bis((2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate) dihydrate

Traditional Name

λ²-iron(2+) ion bis(D-gluconate) dihydrate

SMILES

O.O.[Fe++].[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O.[H][C@@](O)(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]([H])(O)C([O-])=O

InChI Identifier

InChI=1S/2C6H12O7.Fe.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-;;;/m11.../s1

InChI Key

OKGNXSFAYMSVNN-SYAJEJNSSA-L

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sugar acids and derivatives. Sugar acids and derivatives are compounds containing a saccharide unit which bears a carboxylic acid group.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Sugar acids and derivatives

Alternative Parents

Substituents

Gluconic_acid
Medium-chain hydroxy acid
Medium-chain fatty acid
Beta-hydroxy acid
Hydroxy fatty acid
Hydroxy acid
Fatty acyl
Fatty acid
Monosaccharide
Carboxylic acid salt
Secondary alcohol
Carboxylic acid derivative
Carboxylic acid
Organic transition metal salt
Monocarboxylic acid or derivatives
Polyol
Organic oxide
Hydrocarbon derivative
Organic salt
Organic zwitterion
Carbonyl group
Primary alcohol
Alcohol
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

Property	Value	Source
Water Solubility	36.6 g/L	ALOGPS
logP	-2	ALOGPS
logP	-3.4	ChemAxon
logS	-1.1	ALOGPS
pKa (Strongest Acidic)	3.39	ChemAxon
pKa (Strongest Basic)	-3	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	141.28 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	49.11 m³·mol⁻¹	ChemAxon
Polarizability	16.62 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

Not Available

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
276	Antianemic preparations	Healthcare, pharmaceuticals & veterinary products	Not Available
506	Antennas	Electrical & Electronic Equipment	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	6-phosphogluconolactonase	Q9GRG6	Trypanosoma brucei	Predicted (SEA)	0.0778492
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.0778492
Click to view 3D structure	Asc-type amino acid transporter 1	P63116	Rat	Predicted (SEA)	4.04816
Click to view 3D structure	Ribose-5-phosphate isomerase B	P9WKD7	Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)	Predicted (SEA)	0.544945
Click to view 3D structure	Glucose-6-phosphate isomerase	Q9N1E2	Oryctolagus cuniculus	Predicted (SEA)	1.40129
Click to view 3D structure	Fructose-bisphosphate aldolase, glycosomal	P07752	Trypanosoma brucei brucei	Predicted (SEA)	1.08989
Click to view 3D structure	Olfactory receptor 51E2	Q9H255	Humans	Predicted (SEA)	9.41976
Click to view 3D structure	S-ribosylhomocysteine lyase	P45578	Escherichia coli K-12	Predicted (SEA)	10.6653
Click to view 3D structure	S-ribosylhomocysteine lyase	Q9Z5X1	Vibrio campbellii	Predicted (SEA)	10.6653
Click to view 3D structure	Hemagglutinin-neuraminidase	Q06992	Human parainfluenza virus 1	Predicted (SEA)	2.95827
Click to view 3D structure	Phosphoheptose isomerase	Q93UJ2	Burkholderia pseudomallei (strain K96243)	Predicted (SEA)	3.03612
Click to view 3D structure	Neuraminidase	B4URF0	Influenza A virus	Predicted (SEA)	337.632
Click to view 3D structure	Maltase-glucoamylase	O43451	Humans	Predicted (SEA)	148.77
Click to view 3D structure	Excitatory amino acid transporter 3	P43005	Humans	Predicted (SEA)	927.418
Click to view 3D structure	Sialidase-2	Q9Y3R4	Humans	Predicted (SEA)	25.4567
Click to view 3D structure	Sucrase-isomaltase, intestinal	P23739	Rattus norvegicus	Predicted (SEA)	43.5177
Click to view 3D structure	Ceramide transfer protein	Q9Y5P4	Humans	Predicted (SEA)	612.128
Click to view 3D structure	Glutamate transporter homolog	O59010	Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 /NBRC 100139 / OT-3)	Predicted (SEA)	61.5009
Click to view 3D structure	Lysosomal alpha-glucosidase	Q6P7A9	Rattus norvegicus	Predicted (SEA)	34.4094
Click to view 3D structure	Sialidase-3	Q9UQ49	Humans	Predicted (SEA)	173.759
Click to view 3D structure	Metabotropic glutamate receptor 8	P47743	Mus musculus	Predicted (SEA)	30.8283
Click to view 3D structure	Metabotropic glutamate receptor 8	O00222	Humans	Predicted (SEA)	3367.91
Click to view 3D structure	Cholinesterase	P81908	Equus caballus	Predicted (SEA)	6366.35
Click to view 3D structure	Metabotropic glutamate receptor 6	O15303	Humans	Predicted (SEA)	3494.42
Click to view 3D structure	Cytochrome P450 4A4	P10611	Oryctolagus cuniculus	Predicted (SEA)	29.6606