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Record Information
Version3.6
Creation Date2012-09-06 15:16:52 UTC
Update Date2016-02-11 01:33:15 UTC
HMDB IDHMDB15531
Secondary Accession NumbersNone
Metabolite Identification
Common NameIron
DescriptionA metallic element found in certain minerals, in nearly all soils, and in mineral waters. 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.
Structure
Thumb
Synonyms
ValueSource
26FeChEBI
EisenChEBI
FeChEBI
ferChEBI
FerrumChEBI
HierroChEBI
Chemical FormulaFe
Average Molecular Weight55.845
Monoisotopic Molecular Weight55.934942133
IUPAC Nameiron
Traditional Nameiron
CAS Registry Number7439-89-6
SMILES
[Fe]
InChI Identifier
InChI=1S/Fe
InChI KeyInChIKey=XEEYBQQBJWHFJM-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
  • Acyclic compound
Molecular FrameworkAcyclic compounds
External Descriptors
Ontology
StatusDetected and Quantified
Origin
  • Drug
Biofunction
  • Antianemic Agents
  • Iron Supplement
  • Trace Elements
Application
  • Pharmaceutical
Cellular locationsNot Available
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 Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m3·mol-1ChemAxon
Polarizability1.78 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
SpectraNot Available
Biological Properties
Cellular LocationsNot Available
Biofluid Locations
  • Blood
  • Urine
Tissue LocationNot Available
Pathways
NameSMPDB LinkKEGG Link
27-Hydroxylase DeficiencySMP00720Not Available
Alendronate pathwaySMP00095Not Available
AlkaptonuriaSMP00169Not Available
Atorvastatin PathwaySMP00131Not Available
Bile Acid BiosynthesisSMP00035map00120
Cerebrotendinous Xanthomatosis (CTX)SMP00315Not Available
Cerivastatin PathwaySMP00111Not Available
CHILD SyndromeSMP00387Not Available
Cholesteryl ester storage diseaseSMP00508Not Available
Chondrodysplasia Punctata II, X Linked Dominant (CDPX2)SMP00388Not Available
Congenital Bile Acid Synthesis Defect Type IISMP00314Not Available
Congenital Bile Acid Synthesis Defect Type IIISMP00318Not Available
Congenital disorder of glycosylation CDG-IIdSMP00579Not Available
DesmosterolosisSMP00386Not Available
Disulfiram PathwaySMP00429Not Available
Dopamine beta-hydroxylase deficiencySMP00498Not Available
Familial Hypercholanemia (FHCA)SMP00317Not Available
Fluvastatin PathwaySMP00119Not Available
Galactose MetabolismSMP00043map00052
GalactosemiaSMP00182Not Available
Galactosemia II (GALK)SMP00495Not Available
Galactosemia IIISMP00496Not Available
GLUT-1 deficiency syndromeSMP00580Not Available
HawkinsinuriaSMP00190Not Available
Hyper-IgD syndromeSMP00509Not Available
HypercholesterolemiaSMP00209Not Available
Ibandronate PathwaySMP00079Not Available
Lactose SynthesisSMP00444Not Available
Lovastatin PathwaySMP00099Not Available
Lysosomal Acid Lipase Deficiency (Wolman Disease)SMP00319Not Available
Mevalonic aciduriaSMP00510Not Available
Monoamine oxidase-a deficiency (MAO-A)SMP00533Not Available
Nucleotide Sugars MetabolismSMP00010map00520
Oxidation of Branched Chain Fatty AcidsSMP00030Not Available
Pamidronate PathwaySMP00117Not Available
Phenylalanine and Tyrosine MetabolismSMP00008map00360
PhenylketonuriaSMP00206Not Available
Phytanic Acid Peroxisomal OxidationSMP00450Not Available
Pravastatin PathwaySMP00089Not Available
Refsum DiseaseSMP00451Not Available
Risedronate PathwaySMP00112Not Available
Rosuvastatin PathwaySMP00092Not Available
Simvastatin Action PathwaySMP00082Not Available
Smith-Lemli-Opitz Syndrome (SLOS)SMP00389Not Available
Steroid BiosynthesisSMP00023map00100
Taurine and Hypotaurine MetabolismSMP00021map00430
Tyrosine MetabolismSMP00006map00350
Tyrosinemia Type 2 (or Richner-Hanhart syndrome)SMP00369Not Available
Tyrosinemia Type 3 (TYRO3)SMP00370Not Available
Tyrosinemia Type ISMP00218Not Available
Tyrosinemia, transient, of the newbornSMP00494Not Available
Wolman diseaseSMP00511Not Available
Zellweger SyndromeSMP00316Not Available
Zoledronate PathwaySMP00107Not Available
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot ApplicableNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01592
  • Not Applicable
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
UrineExpected but not QuantifiedNot ApplicableNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01592
  • Not Applicable
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01592
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID22368
KEGG Compound IDC00023
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkIron
NuGOwiki LinkHMDB15531
Metagene LinkHMDB15531
METLIN IDNot Available
PubChem Compound23925
PDB IDNot Available
ChEBI ID18248
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Download (PDF)
General ReferencesNot Available