Livestock Metabolome Database: Showing metabocard for Aluminum (LMDB00308)

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

Record Information

Version

1.0

Creation Date

2016-07-13 19:46:58 UTC

Update Date

2016-07-20 20:52:57 UTC

Lmdb

LMDB00308

Secondary Accession Numbers

None

Metabolite Identification

Common Name

Aluminum

Description

Aluminium is a soft, lightweight metal with appearance ranging from silvery to dull gray, depending on the surface roughness. Data indicate that aluminum contaminates much of the raw material used to manufacture solutions used for intravenous nutritional support of hospitalized and ambulatory patients, and that pharmaceutical manufacturers have only recently obtained the technology necessary to detect aluminum contamination of their products. As a result, aluminum bypassed normal barriers and entered the blood, accumulating in tissues such as bone, liver and the central nervous system with toxic consequences. Now that the FDA has finally issued a rule governing aluminum contamination in these solutions, manufacturers will need to develop methods to minimize such contamination; scientists should also realize that when data they obtain indicate a serious problem in the manufacturing sector they should be sure that the problem is properly addressed.Physiologically, this metal/element. exists as an ion in the body. (PMID: 16198633 ).

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
13Al	ChEBI
Al	ChEBI
Aluminio	ChEBI
Aluminium	ChEBI
Aluminium-27	HMDB
Aluminium 27	HMDB
Aluminum 27	HMDB
Aluminum-27	HMDB
Aluminum	ChEBI

Chemical Formula

Average Molecular Weight

26.9815

Monoisotopic Molecular Weight

26.981538441

IUPAC Name

alumane

Traditional Name

alumane

CAS Registry Number

7429-90-5

SMILES

[Al+3]

InChI Identifier

InChI=1S/Al/q+3

InChI Key

REDXJYDRNCIFBQ-UHFFFAOYSA-N

Chemical Taxonomy

Description

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

Kingdom

Inorganic compounds

Super Class

Homogeneous metal compounds

Class

Homogeneous post-transition metal compounds

Sub Class

Not Available

Direct Parent

Homogeneous post-transition metal compounds

Alternative Parents

Not Available

Substituents

Homogeneous post-transition metal

Molecular Framework

Not Available

External Descriptors

elemental aluminium (CHEBI:33629 )

Ontology

Status

Detected and Quantified

Origin

Not Available

Biofunction

Not Available

Application

Not Available

Cellular locations

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	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	1.45	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	Yes	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	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-9000000000-9378da25f3a524cf38e8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-001i-9000000000-9378da25f3a524cf38e8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-001i-9000000000-9378da25f3a524cf38e8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-9000000000-71051ebfdb9ee6a6ce2d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001i-9000000000-71051ebfdb9ee6a6ce2d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-001i-9000000000-71051ebfdb9ee6a6ce2d	Spectrum

Biological Properties

Cellular Locations

Not Available

Biofluid Locations and Tissue Locations

Milk
Ruminal Fluid

Concentrations

Biofluid	Status	Value	Condition	Species	Reference	Details
Milk	Detected and Quantified	0.5 - 1.8 mg/kg	Not Available	Ovine	Park, Y. W; Juáre...	details
Milk	Detected but not Quantified	Not Applicable	Not Available	Bovine	Park, Y. W; Juáre...	details
Milk	Detected but not Quantified	Not Applicable	Not Available	Caprine	Park, Y. W; Juáre...	details
Ruminal Fluid	Detected and Quantified	157.0 +/- 5.0 uM	Not Available	Bovine	Saleem F, Bouatra...	details
Ruminal Fluid	Detected but not Quantified	Not Applicable	Not Available	Bovine	Fozia Saleem, Sou...	details