Human Metabolome Database: Showing metabocard for Iron (HMDB15531)

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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References XML

Record Information

Version

3.6

Creation Date

2012-09-06 15:16:52 UTC

Update Date

2017-03-02 21:34:01 UTC

HMDB ID

HMDB15531

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Iron

Description

A 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

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
26Fe	ChEBI
Eisen	ChEBI
Fe	ChEBI
fer	ChEBI
Ferrum	ChEBI
Hierro	ChEBI

Chemical Formula

Average Molecular Weight

55.845

Monoisotopic Molecular Weight

55.934942133

IUPAC Name

iron

Traditional Name

iron

CAS Registry Number

7439-89-6

SMILES

[Fe]

InChI Identifier

InChI=1S/Fe

InChI Key

XEEYBQQBJWHFJM-UHFFFAOYSA-N

Chemical Taxonomy

Description

This compound belongs to the class of chemical entities known as homogeneous transition metal compounds. These are inorganic compounds containing only metal atoms,with the largest atom being a transition metal atom.

Kingdom

Chemical entities

Super Class

Inorganic compounds

Class

Homogeneous metal compounds

Sub Class

Homogeneous transition metal compounds

Direct Parent

Homogeneous transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous transition metal

Molecular Framework

Not Available

External Descriptors

elemental iron (CHEBI:82664 )

Ontology

Status

Detected and Quantified

Origin

Drug

Biofunction

Antianemic Agents
Iron Supplement
Trace Elements

Application

Pharmaceutical

Cellular locations

Not Available

Physical Properties

State

Solid

Experimental Properties

Property	Value	Reference
Melting Point	1538 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	-0.77	ChemAxon
Physiological Charge	0	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	1	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Spectra

Spectrum Type	Description	Splash Key
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	Not Available
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	Not Available

Biological Properties

Cellular Locations

Not Available

Biofluid Locations

Blood
Urine

Tissue Location

Not Available

Pathways

Name	SMPDB Link	KEGG Link
27-Hydroxylase Deficiency	SMP00720	Not Available
Alendronate pathway	SMP00095	Not Available
Alkaptonuria	SMP00169	Not Available
Atorvastatin Pathway	SMP00131	Not Available
Bile Acid Biosynthesis	SMP00035	map00120
Cerebrotendinous Xanthomatosis (CTX)	SMP00315	Not Available
Cerivastatin Pathway	SMP00111	Not Available
CHILD Syndrome	SMP00387	Not Available
Cholesteryl ester storage disease	SMP00508	Not Available
Chondrodysplasia Punctata II, X Linked Dominant (CDPX2)	SMP00388	Not Available
Congenital Bile Acid Synthesis Defect Type II	SMP00314	Not Available
Congenital Bile Acid Synthesis Defect Type III	SMP00318	Not Available
Congenital disorder of glycosylation CDG-IId	SMP00579	Not Available
Desmosterolosis	SMP00386	Not Available
Disulfiram Pathway	SMP00429	Not Available
Dopamine beta-hydroxylase deficiency	SMP00498	Not Available
Familial Hypercholanemia (FHCA)	SMP00317	Not Available
Fluvastatin Pathway	SMP00119	Not Available
Galactose Metabolism	SMP00043	map00052
Galactosemia	SMP00182	Not Available
Galactosemia II (GALK)	SMP00495	Not Available
Galactosemia III	SMP00496	Not Available
GLUT-1 deficiency syndrome	SMP00580	Not Available
Hawkinsinuria	SMP00190	Not Available
Hyper-IgD syndrome	SMP00509	Not Available
Hypercholesterolemia	SMP00209	Not Available
Ibandronate Pathway	SMP00079	Not Available
Lactose Synthesis	SMP00444	Not Available
Lovastatin Pathway	SMP00099	Not Available
Lysosomal Acid Lipase Deficiency (Wolman Disease)	SMP00319	Not Available
Mevalonic aciduria	SMP00510	Not Available
Monoamine oxidase-a deficiency (MAO-A)	SMP00533	Not Available
Nucleotide Sugars Metabolism	SMP00010	map00520
Oxidation of Branched Chain Fatty Acids	SMP00030	Not Available
Pamidronate Pathway	SMP00117	Not Available
Phenylalanine and Tyrosine Metabolism	SMP00008	map00360
Phenylketonuria	SMP00206	Not Available
Phytanic Acid Peroxisomal Oxidation	SMP00450	Not Available
Pravastatin Pathway	SMP00089	Not Available
Refsum Disease	SMP00451	Not Available
Risedronate Pathway	SMP00112	Not Available
Rosuvastatin Pathway	SMP00092	Not Available
Simvastatin Action Pathway	SMP00082	Not Available
Smith-Lemli-Opitz Syndrome (SLOS)	SMP00389	Not Available
Steroid Biosynthesis	SMP00023	map00100
Taurine and Hypotaurine Metabolism	SMP00021	map00430
Tyrosine Metabolism	SMP00006	map00350
Tyrosinemia Type 2 (or Richner-Hanhart syndrome)	SMP00369	Not Available
Tyrosinemia Type 3 (TYRO3)	SMP00370	Not Available
Tyrosinemia Type I	SMP00218	Not Available
Tyrosinemia, transient, of the newborn	SMP00494	Not Available
Wolman disease	SMP00511	Not Available
Zellweger Syndrome	SMP00316	Not Available
Zoledronate Pathway	SMP00107	Not Available

Normal Concentrations

Biofluid	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified		Not Available	Not Available	Taking drug identified by DrugBank entry DB01592	21059682	details
Blood	Detected and Quantified	2.87-22.92 uM	Children (0 - <14 years old)	Both	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	3.58-29.009 uM	Adolescent (14 - <19 years old	Female	Normal	CALIPER Paediatri...	details
Blood	Detected and Quantified	5.55-30.083 uM	Adolescent (14 - <19 years old	Male	Normal	CALIPER Paediatri...	details
Urine	Expected but not Quantified		Not Available	Not Available	Taking drug identified by DrugBank entry DB01592	21059682	details