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Record Information
Version4.0
Creation Date2012-09-06 15:16:52 UTC
Update Date2017-09-25 12:24:30 UTC
HMDB IDHMDB0015456
Secondary Accession Numbers
  • HMDB15456
StatusDetected and Quantified
Metabolite Identification
Common NameAluminium
DescriptionAluminium is only found in individuals that have used or taken this drug. It is a metallic element that has the atomic number 13, atomic symbol Al, and atomic weight 26.98. [PubChem]Aluminum Acetate is an astringent. An astrignent is a chemical that tends to shrink or constrict body tissues, usually locally after topical medicinal application. The shrinkage or constriction is through osmotic flow of water (or other fluids) away from the area where the astringent was applied. Astringent medicines cause shrinkage of mucous membranes or exposed tissues and are often used internally to check discharge of blood serum or mucous secretions. This can happen with a sore throat, hemorrhages, diarrhea, or with peptic ulcers. Externally applied astringents, which cause mild coagulation of skin proteins, dry, harden, and protect the skin. Acne sufferers are often advised to use astringents if they have oily skin. Astringents also help heal stretch marks and other scars. Mild astringent solutions are used in the relief of such minor skin irritations as those resulting from superficial cuts, allergies, insect bites, or fungal infections such as athlete's foot.
Structure
Thumb
Synonyms
ValueSource
13AlChEBI
AlChEBI
AluminioChEBI
AluminiumChEBI
Chemical FormulaAl
Average Molecular Weight26.9815
Monoisotopic Molecular Weight26.981538441
IUPAC Namealumane
Traditional Namealumane
CAS Registry Number7429-90-5
SMILES
[Al]
InChI Identifier
InChI=1S/Al
InChI KeyXAGFODPZIPBFFR-UHFFFAOYSA-N
Chemical Taxonomy
DescriptionThis compound belongs to the class of chemical entities 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.
KingdomChemical entities
Super ClassInorganic compounds
ClassHomogeneous metal compounds
Sub ClassHomogeneous post-transition metal compounds
Direct ParentHomogeneous post-transition metal compounds
Alternative ParentsNot Available
Substituents
  • Homogeneous post-transition metal
Molecular FrameworkNot Available
External Descriptors
Ontology
Disposition
Biological Location:
Subcellular:
Biofluid and excreta:
Role
Industrial application:
Pharmaceutical industry:
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 Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity0 m3·mol-1ChemAxon
Polarizability1.78 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Biological Properties
Cellular Locations
  • Extracellular
  • Membrane
Biofluid Locations
  • Blood
  • Urine
Tissue LocationNot Available
PathwaysNot Available
NameSMPDB/PathwhizKEGG
No entries found
Normal Concentrations
BiofluidStatusValueAgeSexConditionReferenceDetails
BloodDetected and Quantified0.037-0.410 uMAdult (>18 years old)BothNormal details
BloodExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01370 details
UrineExpected but not Quantified Not AvailableNot AvailableTaking drug identified by DrugBank entry DB01370 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB01370
DrugBank Metabolite IDNot Available
Phenol Explorer Compound IDNot Available
Phenol Explorer Metabolite IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4514248
KEGG Compound IDC06264
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkAluminium
NuGOwiki LinkHMDB0015456
METLIN IDNot Available
PubChem Compound5359268
PDB IDNot Available
ChEBI ID28984
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available