Record Information
Version1.0
Creation date2010-04-08 22:12:19 UTC
Update date2019-11-26 03:12:57 UTC
Primary IDFDB016251
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameIron
DescriptionIron, also known as 26FE or fer, 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. Iron is possibly neutral. Iron is found, on average, in the highest concentration within a few different foods, such as corn salad, mugworts, and common thymes and in a lower concentration in soy yogurts, breakfast sandwichs, and cuttlefish. Iron has also been detected, but not quantified in, several different foods, such as caseins, spotted seals, shea tree, asian pears, and drippings. This could make iron a potential biomarker for the consumption of these foods.
CAS Number15438-31-0
Structure
Thumb
Synonyms
Predicted Properties
PropertyValueSource
logP-0.77ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaFe
IUPAC nameiron
InChI IdentifierInChI=1S/Fe
InChI KeyXEEYBQQBJWHFJM-UHFFFAOYSA-N
Isomeric SMILES[Fe]
Average Molecular Weight55.845
Monoisotopic Molecular Weight55.934942133
Classification
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.
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:

Physico-Chemical Properties
Physico-Chemical Properties - Experimental
Spectra
Spectra
EI-MS/GC-MSNot Available
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75e2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75e2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-0udi-9000000000-3335fec4c3184739b75e2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd96686832016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd96686832016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-0a4i-9000000000-af3e7aec4f5bd96686832016-08-03View Spectrum
NMRNot Available
ChemSpider ID25394
ChEMBL IDNot Available
KEGG Compound IDC14818
Pubchem Compound ID27284
Pubchem Substance IDNot Available
ChEBI ID18248
Phenol-Explorer IDNot Available
DrugBank IDDB01592
HMDB IDHMDB00692
CRC / DFC (Dictionary of Food Compounds) IDKPN01-S:KPN01-S
EAFUS ID1815
Dr. Duke IDIRON
BIGG ID33552
KNApSAcK IDNot Available
HET IDFE2
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDIron
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
Processing...
Biological Effects and Interactions
Health Effects / Bioactivities
Enzymes
PathwaysNot Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference— Saxholt, E., et al. 'Danish food composition databank, revision 7.' Department of Nutrition, National Food Institute, Technical University of Denmark (2008).
— U.S. Department of Agriculture, Agricultural Research Service. 2008. USDA National Nutrient Database for Standard Reference, Release 21. Nutrient Data Laboratory Home Page.
— Duke, James. 'Dr. Duke's Phytochemical and Ethnobotanical Databases. United States Department of Agriculture.' Agricultural Research Service, Accessed April 27 (2004).