Record Information
Version1.0
Creation Date2016-09-30 22:43:01 UTC
Update Date2020-06-04 20:22:27 UTC
MCDB ID BMDB0001247
Secondary Accession Numbers
  • BMDB01247
Metabolite Identification
Common NameAluminum
DescriptionAluminum, 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
Thumb
Synonyms
ValueSource
Al(3+)ChEBI
Aluminium ionChEBI
ALUMINUM ionChEBI
AlHMDB
AlloyHMDB
ALNHMDB
AlugelHMDB
AlumHMDB
AlumenHMDB
AluminaHMDB
AlloysMeSH
Chemical FormulaAl
Average Molecular Weight26.9815
Monoisotopic Molecular Weight26.981538441
IUPAC Namealuminium(3+) ion
Traditional Namealuminium(3+) ion
CAS Registry Number7429-90-5
SMILES
[Al+3]
InChI Identifier
InChI=1S/Al/q+3
InChI KeyREDXJYDRNCIFBQ-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.
KingdomInorganic compounds
Super ClassHomogeneous metal compounds
ClassHomogeneous post-transition metal compounds
Sub ClassNot Available
Direct ParentHomogeneous post-transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous post-transition metal
Molecular FrameworkNot Available
External Descriptors
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP1.45ChemAxon
Physiological Charge3ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m³·mol⁻¹ChemAxon
Polarizability1.78 ųChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
Not Available
Concentrations
StatusValueReferenceDetails
Detected and Quantified0.9 - 1.0 uM details
Detected and Quantified0.9 - 1.5 uM details
Detected and Quantified0.9 - 1.1 uM details
Detected and Quantified43 - 166 uM
  • Semaghiul Birghil...
details
Detected and Quantified135 +/- 23 uM details
Detected and Quantified148 +/- 5 uM details
Detected and Quantified155 +/- 14 uM details
Detected and Quantified147 +/- 7 uM details
Detected and Quantified44 - 154 uM
  • Semaghiul Birghil...
details
Detected and Quantified8.413 - 12 uM
  • Z. Dobrzański, R....
details
Detected and Quantified1 +/- 0.03 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.341 +/- 0.0111 uM
  • Patricia Cava-Mon...
details
Detected and Quantified1 +/- 0.0371 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.3 +/- 0.02 uM
  • Patricia Cava-Mon...
details
Detected and Quantified1 +/- 0.0371 uM
  • Patricia Cava-Mon...
details
Detected and Quantified0.3 +/- 0.0222 uM
  • Patricia Cava-Mon...
details
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAluminium
METLIN IDNot Available
PubChem Compound104727
PDB IDNot Available
ChEBI ID49470
References
Synthesis ReferenceKang, 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
  1. 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 ]
  2. 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.
  3. 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.
  4. 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.
  5. 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.
  6. 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.