Bovine Metabolome Database: Showing metabocard for Aluminum (BMDB0001247)

Identification Taxonomy Physical properties Pathways Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-09-30 22:43:01 UTC

Update Date

2020-06-04 20:22:27 UTC

BMDB ID

BMDB0001247

Secondary Accession Numbers

BMDB01247

Metabolite Identification

Common Name

Aluminum

Description

Aluminum, also known as aluminium ion or al(3+), 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. Aluminum is possibly soluble (in water) and possibly neutral.

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
Al(3+)	ChEBI
Aluminium ion	ChEBI
ALUMINUM ion	ChEBI
Al	HMDB
Alloy	HMDB
ALN	HMDB
Alugel	HMDB
Alum	HMDB
Alumen	HMDB
Alumina	HMDB
Alloys	MeSH

Chemical Formula

Average Molecular Weight

26.9815

Monoisotopic Molecular Weight

26.981538441

IUPAC Name

aluminium(3+) ion

Traditional Name

aluminium(3+) ion

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

monoatomic aluminium (CHEBI:49470 )
monoatomic trication (CHEBI:49470 )
aluminium cation (CHEBI:49470 )
a cation (CPD-1484 )

Ontology

Status

Detected and Quantified

Origin

Exogenous

Biofunction

Not Available

Application

Not Available

Cellular locations

Cell membrane
Membrane

Physical Properties

State

Solid

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	3	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

Not Available

Biological Properties

Cellular Locations

Cell membrane
Membrane

Biospecimen Locations

Milk
Ruminal Fluid

Pathways

Not Available

Name	SMPDB/Pathwhiz	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Milk	Detected and Quantified	43 - 166 uM	Not Specified	Not Specified	Normal	Semaghiul Birghil...	details
Milk	Detected and Quantified	0.889 - 1.000 uM	Not Specified	Not Specified	Normal	PMID: 3361685	details
Milk	Detected and Quantified	0.889 - 1.482 uM	Not Specified	Not Specified	Normal	PMID: 3361685	details
Milk	Detected and Quantified	0.889 - 1.0748 uM	Not Specified	Not Specified	Normal	PMID: 3361685	details
Milk	Detected and Quantified	135 +/- 23 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	148 +/- 5 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	155 +/- 14 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	147 +/- 7 uM	Not Specified	Not Specified	Normal	PMID: 30994344	details
Milk	Detected and Quantified	0.563 +/- 0.0296 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.341 +/- 0.0111 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.889 +/- 0.0371 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.282 +/- 0.0185 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.667 +/- 0.0371 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	0.245 +/- 0.0222 uM	Not Specified	Not Specified	Normal	Patricia Cava-Mon...	details
Milk	Detected and Quantified	43.734 - 154.180 uM	Not Specified	Not Specified	Normal	Semaghiul Birghil...	details
Milk	Detected and Quantified	8.413 - 11.971 uM	Not Specified	Not Specified	Normal	Z. Dobrzański, R....	details
Ruminal Fluid	Detected and Quantified	157.0 +/- 5.0 uM	Not Specified	Not Specified	Normal	Fozia Saleem, Sou...	details

Abnormal Concentrations

Not Available

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Aluminium

METLIN ID

Not Available

PubChem Compound

104727

PDB ID

Not Available

ChEBI ID

49470

References

Synthesis Reference

Kang, B. S.; Kim, W. B.; Park, Y. S.; Yoo, Y. H. Recovery of aluminum from anthracite ash. Konghak Nonjip (1989), 30 57-70.

Material Safety Data Sheet (MSDS)

Not Available

General References

Koo WW, Kaplan LA, Krug-Wispe SK: Aluminum contamination of infant formulas. JPEN J Parenter Enteral Nutr. 1988 Mar-Apr;12(2):170-3. doi: 10.1177/0148607188012002170. [PubMed:3361685 ]
Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu (2008). Semaghiul Birghila, Simona Dobrinas, Gabriela Stanciu and Alina Soceanu. Determination of major and minor elements in milk through ICP-AES. Environmental Engineering and Management Journal. November/December 2008, Vol.7, No.6, 805-808. Environmental Engineering and Management Journal.
Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. (2005). Z. Dobrzański, R. Kołacz, H. Górecka, K. Chojnacka, A. Bartkowiak. 2005. The Content of Microelements and Trace Elements in Raw Milk from Cows in the Silesian Region. Pol. J. Environ. Stud. 14(5):685–689. Polish Journal of Environmental Studies.
Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W. (2007). Park, Y. W; Juárez, Manuela ; Ramos, M.; Haenlein, G. F. W.. Physico-chemical characteristics of goat and sheep milk. Small Ruminant Res.(2007) 68:88-113 doi: 10.1016/j.smallrumres.2006.09.013. Small Ruminant Research.
A. Foroutan et al. (2019). A. Foroutan et al. The Chemical Composition of Commercial Cow's Milk (in preparation). Journal of Agricultural and Food Chemistry.
Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia (2005). Patricia Cava-Montesinos, M. Luisa Cervera Agustín Pastor Miguel de la Guardia. 2005. Room temperature acid sonication ICP-MS multielemental analysis of milk.Analytica Chimica Acta Volume 531, Issue 1, Pages 111-123. Analytica Chimica Acta.

Showing metabocard for Aluminum (BMDB0001247)

Structure for BMDB0001247 (Aluminum)