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Record Information
Version4.0
StatusDetected and Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2018-05-20 20:20:00 UTC
HMDB IDHMDB0015531
Secondary Accession Numbers
  • HMDB0012943
  • HMDB12943
  • HMDB15531
Metabolite Identification
Common NameIron
DescriptionIron is a metallic element found in certain minerals, in nearly all soils, and in mineral waters. Iron is required for life. It exists in all living species, ranging from bacteria to humans. It can be found primarily in blood and it is an essential constituent of hemoglobin, cytochrome, and other components of respiratory enzyme systems. Its chief functions are in the transport of oxygen to tissue (hemoglobin) and in cellular oxidation mechanisms. Depletion of iron stores may result in iron-deficiency anemia. Iron is used to build up the blood in anemia. In humans, iron is involved in several metabolic pathways, some of which include the rofecoxib pathway, magnesium salicylate action pathway, etodolac pathway, and diclofenac pathway. Iron is also involved in several metabolic disorders, some of which include adenine phosphoribosyltransferase deficiency (APRT), porphyria variegata (PV), adenylosuccinate lyase deficiency, and AICA-ribosiduria. The major activity of supplemental iron is in the prevention and treatment of iron-deficiency anemia. Iron has putative immune-enhancing, anticarcinogenic, and cognition-enhancing activities. Iron can be found in a number of food items such as chinese water chestnut, hyssop, daikon radish, and peppermint, which makes it a potential biomarker for the consumption of these food products.
Structure
Thumb
Synonyms
ValueSource
FE (II) ionChEBI
Fe(II)ChEBI
Fe(2+)ChEBI
Ferrous ionChEBI
Iron ion(2+)ChEBI
armco IronHMDB
Carbonyl ironHMDB
FEHMDB
Ferrovac eHMDB
HematiteHMDB
InfedHMDB
LimoniteHMDB
LOHAHMDB
MagnetiteHMDB
Malleable ironHMDB
MetopironeHMDB
MetyraponeHMDB
PZH2mHMDB
PZHOHMDB
RemkoHMDB
Suy-b 2HMDB
TaconiteHMDB
VenoferHMDB
Wrought ironHMDB
Chemical FormulaFe
Average Molecular Weight55.845
Monoisotopic Molecular Weight55.934942133
IUPAC Nameλ²-iron(2+) ion
Traditional Nameλ²-iron(2+) ion
CAS Registry Number7439-89-6
SMILES
[Fe]
InChI Identifier
InChI=1S/Fe
InChI KeyXEEYBQQBJWHFJM-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound 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.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous transition metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Process

Naturally occurring process:

Role

Industrial application:

Biological role:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting Point1538 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP-0.77ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd9668683View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd9668683View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd9668683View in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75eView in MoNA
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75eView in MoNA
Biological Properties
Cellular LocationsNot Available
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified16.7 +/- 6.0 uMAdult (>18 years old)BothNormal details
BloodDetected and Quantified10.744-26.860 uMAdult (>18 years old)Not SpecifiedNormal details
BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01592 details
BloodDetected and Quantified2.87-22.92 uMChildren (0 - <14 years old)Both
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified3.58-29.009 uMAdolescent (14 - <19 years oldFemale
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified5.55-30.083 uMAdolescent (14 - <19 years oldMale
Normal
    • CALIPER Paediatri...
details
BloodDetected and Quantified9.00-30.0 uMAdult (>18 years old)Female
Normal
details
BloodDetected and Quantified12.0-32.0 uMAdult (>18 years old)Male
Normal
details
BloodDetected and Quantified16.653 (2.686-40.290) uMAdult (>18 years old)Female
Normal
details
BloodDetected and Quantified19.339 (3.760-41.364) uMAdult (>18 years old)Male
Normal
details
UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01592 details
Abnormal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified15.1 +/- 6.6 uMAdult (>18 years old)BothErythropoietic protoporphyria details
BloodDetected and Quantified5.551-6.625 uMAdult (>18 years old)Female
Aceruloplasminemia
details
BloodDetected and Quantified25.4 uMAdult (>18 years old)FemaleLecithin:cholesterol Acyltransferase Deficiency details
BloodDetected and Quantified22.204 (7.521-44.0505) uMAdult (>18 years old)Male
Hemochromatosis, type 1
details
BloodDetected and Quantified18.444 (1.0744-42.976) uMAdult (>18 years old)Female
Hemochromatosis, type 1
details
Associated Disorders and Diseases
Disease References
Aceruloplasminemia
  1. Roberti Mdo R, Borges Filho HM, Goncalves CH, Lima FL: Aceruloplasminemia: a rare disease - diagnosis and treatment of two cases. Rev Bras Hematol Hemoter. 2011;33(5):389-92. doi: 10.5581/1516-8484.20110104. [PubMed:23049345 ]
Erythropoietic protoporphyria
  1. Cole DE, Farag S, Dooley KC: Ethanolaminuria: a non-specific laboratory finding in the seriously ill infant. Clin Biochem. 1988 Oct;21(5):297-300. [PubMed:3233740 ]
Hemochromatosis, type 1
  1. Bulaj ZJ, Griffen LM, Jorde LB, Edwards CQ, Kushner JP: Clinical and biochemical abnormalities in people heterozygous for hemochromatosis. N Engl J Med. 1996 Dec 12;335(24):1799-805. doi: 10.1056/NEJM199612123352403. [PubMed:8943161 ]
Lecithin:cholesterol Acyltransferase Deficiency
  1. Idzior-Walus B, Sieradzki J, Kostner G, Malecki MT, Klupa T, Wesolowska T, Rostworowski W, Hartwich J, Walus M, Kiec AD, Naruszewicz M: Familial lecithin-cholesterol acyltransferase deficiency: biochemical characteristics and molecular analysis of a new LCAT mutation in a Polish family. Atherosclerosis. 2006 Apr;185(2):413-20. Epub 2005 Jul 26. [PubMed:16051254 ]
Associated OMIM IDs
  • 604290 (Aceruloplasminemia)
  • 235200 (Hemochromatosis, type 1)
  • 177000 (Erythropoietic protoporphyria)
  • 245900 (Lecithin:cholesterol Acyltransferase Deficiency)
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB016251
KNApSAcK IDNot Available
Chemspider ID25394
KEGG Compound IDC14818
BioCyc IDFerric-Hydroxamate-Complexes
BiGG ID33552
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound27284
PDB IDFE2
ChEBI ID29033
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available

Enzymes

General function:
Involved in heme oxygenase (decyclizing) activity
Specific function:
Heme oxygenase cleaves the heme ring at the alpha methene bridge to form biliverdin. Biliverdin is subsequently converted to bilirubin by biliverdin reductase. Under physiological conditions, the activity of heme oxygenase is highest in the spleen, where senescent erythrocytes are sequestrated and destroyed. Heme oxygenase 2 could be implicated in the production of carbon monoxide in brain where it could act as a neurotransmitter.
Gene Name:
HMOX2
Uniprot ID:
P30519
Molecular weight:
36032.615
General function:
Involved in heme oxygenase (decyclizing) activity
Specific function:
Heme oxygenase cleaves the heme ring at the alpha methene bridge to form biliverdin. Biliverdin is subsequently converted to bilirubin by biliverdin reductase. Under physiological conditions, the activity of heme oxygenase is highest in the spleen, where senescent erythrocytes are sequestrated and destroyed.
Gene Name:
HMOX1
Uniprot ID:
P09601
Molecular weight:
32818.345
General function:
Involved in oxidoreductase activity
Specific function:
Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation.
Gene Name:
FTMT
Uniprot ID:
Q8N4E7
Molecular weight:
27537.885
General function:
Involved in oxidoreductase activity
Specific function:
Ceruloplasmin is a blue, copper-binding (6-7 atoms per molecule) glycoprotein. It has ferroxidase activity oxidizing Fe(2+) to Fe(3+) without releasing radical oxygen species. It is involved in iron transport across the cell membrane. Provides Cu(2+) ions for the ascorbate-mediated deaminase degradation of the heparan sulfate chains of GPC1. May also play a role in fetal lung development or pulmonary antioxidant defense (By similarity).
Gene Name:
CP
Uniprot ID:
P00450
Molecular weight:
122204.45
General function:
Involved in cellular iron ion homeostasis
Specific function:
Promotes the biosynthesis of heme and assembly and repair of iron-sulfur clusters by delivering Fe(2+) to proteins involved in these pathways. May play a role in the protection against iron-catalyzed oxidative stress through its ability to catalyze the oxidation of Fe(2+) to Fe(3+); the oligomeric form but not the monomeric form has in vitro ferroxidase activity. May be able to store large amounts of iron in the form of a ferrihydrite mineral by oligomerization; however, the physiological relevance is unsure as reports are conflicting and the function has only been shown using heterologous overexpression systems. Modulates the RNA-binding activity of ACO1.
Gene Name:
FXN
Uniprot ID:
Q16595
Molecular weight:
23134.895
General function:
Involved in oxidoreductase activity
Specific function:
Stores iron in a soluble, non-toxic, readily available form. Important for iron homeostasis. Has ferroxidase activity. Iron is taken up in the ferrous form and deposited as ferric hydroxides after oxidation. Also plays a role in delivery of iron to cells. Mediates iron uptake in capsule cells of the developing kidney (By similarity).
Gene Name:
FTH1
Uniprot ID:
P02794
Molecular weight:
21225.47