MiMeDB: Showing metabocard for Iron(3+) (MMDBc0000292)

Microbial

Plant

Animal

Pharmaceutical

Xenobiotic

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2020-10-28 00:08:52 UTC

Update Date

2025-10-07 16:04:21 UTC

Metabolite ID

MMDBc0000292

Metabolite Identification

Common Name

Iron(3+)

Description

Iron(3+) is a transition metal ion belonging to the class of inorganic compounds. There is limited literature available on this metabolite, indicating a need for further research to fully understand its biochemical roles and implications.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

Synonyms

Value	Source
FE (III) ion	ChEBI
Fe(III)	ChEBI
Fe(3+)	ChEBI
Ferric ion	ChEBI
Ferric iron	ChEBI
Iron, ion (fe(3+))	ChEBI
Iron(3+)	Kegg

Molecular Formula

Average Mass

55.845

Monoisotopic Mass

55.934942133

IUPAC Name

iron(3+) ion

Traditional Name

iron(3+) ion

CAS Registry Number

20074-52-6

SMILES

[Fe+3]

InChI Identifier

InChI=1S/Fe/q+3

InChI Key

VTLYFUHAOXGGBS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of inorganic compounds known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

iron cation (CHEBI:29034 )
monoatomic trication (CHEBI:29034 )
a cation (FE+3 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
logP	-0.77	ChemAxon
pKa (Strongest Acidic)	4.58	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	0 m³·mol⁻¹	ChemAxon
Polarizability	1.78 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-0a4i-9000000000-af3e7aec4f5bd9668683	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-0a4i-9000000000-af3e7aec4f5bd9668683	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0a4i-9000000000-af3e7aec4f5bd9668683	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-0udi-9000000000-3335fec4c3184739b75e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0udi-9000000000-3335fec4c3184739b75e	2015-09-15	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0udi-9000000000-3335fec4c3184739b75e	2015-09-15	View Spectrum

Chromatographic Retention Times and Retention Indices

Retention Times

Not Available

Retention Indices

Not Available

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Feces

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species
MMDBp0191822	Heme oxygenase 2	Unknown	P30519	Homo sapiens
MMDBp0191869	Heme oxygenase 1	Unknown	P09601	Homo sapiens
MMDBp0192128	Ferritin, mitochondrial	Unknown	Q8N4E7	Homo sapiens
MMDBp0192130	Ceruloplasmin	Unknown	P00450	Homo sapiens
MMDBp0193720	Frataxin, mitochondrial	Unknown	Q16595	Homo sapiens
MMDBp0195439	Ferritin heavy chain	Unknown	P02794	Homo sapiens

Human Pathways

Pathways

Name	SMPDB/PathBank
Bloch Pathway (Cholesterol Biosynthesis)
Kandutsch-Russell Pathway (Cholesterol Biosynthesis)

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference
MMDBr0019746	Hydrogen	Iron(3+)	Unknown Protein		PathBank	31602464
MMDBr0024380	Iron(3+)	Hydrogen Ion	Ubiquinol-cytochrome c reductase iron-sulfur subunit	Reduction	RHEA	34755880
MMDBr0024651	Iron(3+)	Hydrogen Ion	Polyvinylalcohol dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0024698	Water	Hydrogen Ion	Quinohemoprotein amine dehydrogenase subunit gamma	Dehydrogenation	RHEA	34755880
MMDBr0024724	Hydrogen Ion	Water	Plasmanylethanolamine desaturase	Desaturation	RHEA	34755880
MMDBr0025219	Hydrogen Ion	Water	Acyl-lipid (8-3)-desaturase	Desaturation	RHEA	34755880
MMDBr0025221	Hydrogen Ion	Water	Delta 8-(E)-sphingolipid desaturase	Desaturation	RHEA	34755880
MMDBr0025227	Hydrogen Ion	Water	Sphingolipid C4-hydroxylase SUR2	Hydroxylation	RHEA	34755880
MMDBr0025229	Hydrogen Ion	Water	Acyl-lipid omega-3 desaturase (cytochrome b5), endoplasmic reticulum	Desaturation	RHEA	34755880
MMDBr0025232	Hydrogen Ion	Water	Ceramide very long chain fatty acid hydroxylase SCS7	Hydroxylation	RHEA	34755880
MMDBr0025234	Hydrogen Ion	Water	Sphingolipid delta(4)-desaturase	Desaturation	RHEA	34755880
MMDBr0025372	Iron(3+)	Hydrogen Ion	Methanol dehydrogenase [cytochrome c] subunit 1	Dehydrogenation	RHEA	34755880
MMDBr0025373	Iron(3+)	Hydrogen Ion	Quinoprotein ethanol dehydrogenase	Dehydrogenation	RHEA	34755880
MMDBr0025499	Hydrogen Ion	Water	Delta(7)-sterol 5(6)-desaturase	Desaturation	RHEA	34755880

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Bacteria/Eubacteria	Firmicutes	770	Human ; Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Proteobacteria	540	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Sheep ; Chicken ; Cattle ; River trout ; Human subgingival plaque; Human saliva; Human supragingival plaque	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Actinobacteria	262	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Bacteria/Eubacteria	Verrucomicrobia	2	Human ; Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Bacteroidetes	242	Human feces; Human appendix biopsy; Human ; Human stool; Human saliva; Human gastric fluid; Human urine; Human subgingival plaque; Human supragingival plaque	Metabolic reconstruction
Bacteria/Eubacteria	Synergistetes	6	Human feces	Metabolic reconstruction
Bacteria	Firmicutes	5	Human ; Human feces; Human pleural fluid plaque; Pig ; Human sputum; Human subgingival plaque; Human saliva; Human urine; Human mucosa; Human supragingival plaque; Cattle ; Human stool	Microbial culture; Metabolic reconstruction
Bacteria/Eubacteria	Spirochaetes	2	Human feces	Metabolic reconstruction
Archaea	Thaumarchaeota	2		Metabolic reconstruction
Bacteria/Eubacteria	Fusobacteria	39	Human feces; Human	Metabolic reconstruction
Archaea	Euryarchaeota	10		Metabolic reconstruction
Bacteria/Eubacteria	Candidatus melainabacteria	2	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Tenericutes	8	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	Planctomycetes	2	Human feces	Metabolic reconstruction
Archaea	Crenarchaeota	2		Metabolic reconstruction
Bacteria	Synergistetes	1	Human feces	Metabolic reconstruction
Bacteria	Proteobacteria	17	Human feces; Human sputum; Human ; Human unknown; Pig ; Human pleural fluid plaque; Human dental plaque; Human nasal swab; Human stool; Human feces; pleural fluid plaque; bal; Sheep ; Chicken ; Cattle ; River trout ; Human subgingival plaque; Human saliva; Human supragingival plaque	Microbial culture; Metabolic reconstruction
Bacteria	nah	2	Human
Bacteria	Actinobacteria	1	Human feces; Human sputum; Human bronchial brush; Human nasopharyngeal swab; Human pleural fluid plaque; Human dental plaque; Human ; Human mucosa; Human supragingival plaque; Human subgingival plaque; Human saliva; Cattle	Metabolic reconstruction
Eukaryota/Fungi	Ascomycota	52	Human feces; Human saliva; Human supragingival plaque	Unknown
Archaea/Archaea	Euryarchaeota	7		Metabolic reconstruction
Bacteria/Eubacteria	Deinococcus-thermus	3
Eukaryota/Fungi	Basidiomycota	6	Human feces
Eukaryota/Fungi	Zoopagomycota	1
Eukaryota/Fungi	Blastocladiomycota	1
Eukaryota/Fungi	Mucoromycota	3
Bacteria/Eubacteria	Thermotogae	1
Bacteria	Planctomycetes	1	Human feces	Metabolic reconstruction
Bacteria/Eubacteria	nah	1	Human
Bacteria/Eubacteria	Chlorobi	1
Bacteria/Eubacteria	Cyanobacteria	1

Exposure Sources

Other Exposures

Source Type	Data Source	Reference
Drugs - Antimicrobial	U.S. Environmental Protection Agency	CompTox
Cosmetics	U.S. Environmental Protection Agency	CompTox
Domestics	U.S. Environmental Protection Agency	CompTox
Water	U.S. Environmental Protection Agency	CompTox

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference
Human Feces	Detected but not Quantified									HMDB

External Links

HMDB ID

HMDB0015531

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB029221

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

C14819

BioCyc ID

FE%2b3

BiGG ID

Not Available

Wikipedia Link

Iron(III)

METLIN ID

Not Available

PubChem Compound

29936

PDB ID

Not Available

ChEBI ID

29034

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

Kim GT, Hyun MS, Chang IS, Kim HJ, Park HS, Kim BH, Kim SD, Wimpenny JW, Weightman AJ: Dissimilatory Fe(III) reduction by an electrochemically active lactic acid bacterium phylogenetically related to Enterococcus gallinarum isolated from submerged soil. J Appl Microbiol. 2005;99(4):978-87. doi: 10.1111/j.1365-2672.2004.02514.x. [PubMed:16162251 ]
Weber KA, Pollock J, Cole KA, O'Connor SM, Achenbach LA, Coates JD: Anaerobic nitrate-dependent iron(II) bio-oxidation by a novel lithoautotrophic betaproteobacterium, strain 2002. Appl Environ Microbiol. 2006 Jan;72(1):686-94. doi: 10.1128/AEM.72.1.686-694.2006. [PubMed:16391108 ]
Ogg CD, Patel BK: Caloramator australicus sp. nov., a thermophilic, anaerobic bacterium from the Great Artesian Basin of Australia. Int J Syst Evol Microbiol. 2009 Jan;59(Pt 1):95-101. doi: 10.1099/ijs.0.000802-0. [PubMed:19126731 ]
Noronha A, Modamio J, Jarosz Y, Guerard E, Sompairac N, Preciat G, Danielsdottir AD, Krecke M, Merten D, Haraldsdottir HS, Heinken A, Heirendt L, Magnusdottir S, Ravcheev DA, Sahoo S, Gawron P, Friscioni L, Garcia B, Prendergast M, Puente A, Rodrigues M, Roy A, Rouquaya M, Wiltgen L, Zagare A, John E, Krueger M, Kuperstein I, Zinovyev A, Schneider R, Fleming RMT, Thiele I: The Virtual Metabolic Human database: integrating human and gut microbiome metabolism with nutrition and disease. Nucleic Acids Res. 2019 Jan 8;47(D1):D614-D624. doi: 10.1093/nar/gky992. [PubMed:30371894 ]

Showing metabocard for Iron(3+) (MMDBc0000292)

MOL for #<Metabolite:0x00007faddcc69648>

3D MOL for #<Metabolite:0x00007faddcc69648>

3D SDF for #<Metabolite:0x00007faddcc69648>

3D-SDF for #<Metabolite:0x00007faddcc69648>

PDB for #<Metabolite:0x00007faddcc69648>

3D PDB for #<Metabolite:0x00007faddcc69648>

SMILES for #<Metabolite:0x00007faddcc69648>

INCHI for #<Metabolite:0x00007faddcc69648>

Structure for #<Metabolite:0x00007faddcc69648>

3D Structure for #<Metabolite:0x00007faddcc69648>