<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>1.0</version>
  <creation_date>2026-04-05 15:39:42 UTC</creation_date>
  <update_date>2026-04-17 19:08:55 UTC</update_date>
  <accession/>
  <common_name>Aluminium sulphate</common_name>
  <class>SmallMolecule</class>
  <description>Aluminium sulphate belongs to the post-transition metal sulfates, a subclass of post-transition metal oxoanionic compounds within the inorganic compounds. With an average molecular weight of 666.40 g/mol, Aluminium sulphate is a heavy molecule. This compound is characterized by the chemical formula Al2H36O30S3 and is classified as a mixed metal/non-metal compound. It has been identified as being found in or released from one recorded source: food, food processing and cookware, specifically in the processing of fish.</description>
  <categories/>
  <types/>
  <synonyms/>
  <chemical_formula>Al2H36O30S3</chemical_formula>
  <average_molecular_weight>666.4</average_molecular_weight>
  <monisotopic_moleculate_weight>666.0084303</monisotopic_moleculate_weight>
  <iupac_name/>
  <traditional_iupac/>
  <cas_registry_number>7784-31-8</cas_registry_number>
  <smiles>O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</smiles>
  <inchi>InChI=1S/2Al.3H2O4S.18H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);18*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;/p-6</inchi>
  <inchikey>AMVQGJHFDJVOOB-UHFFFAOYSA-H</inchikey>
  <taxonomy>
    <kingdom/>
    <super_class/>
    <class/>
    <sub_class/>
    <direct_parent/>
    <alternate_parents/>
    <substituents/>
    <molecular_framework/>
    <descriptors/>
  </taxonomy>
  <status>Detected and Not Quantified</status>
  <origin/>
  <cellular_locations/>
  <biofluid_locations/>
  <tissue_locations/>
  <pathways/>
  <state/>
  <appearance/>
  <experimental_properties/>
  <predicted_properties>
    <property>
      <kind>average_mass</kind>
      <value>666.4</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>mono_mass</kind>
      <value>666.0084303</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>smiles</kind>
      <value>O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>formula</kind>
      <value>Al2H36O30S3</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchi</kind>
      <value>InChI=1S/2Al.3H2O4S.18H2O/c;;3*1-5(2,3)4;;;;;;;;;;;;;;;;;;/h;;3*(H2,1,2,3,4);18*1H2/q2*+3;;;;;;;;;;;;;;;;;;;;;/p-6</value>
      <source>ChemAxon</source>
    </property>
    <property>
      <kind>inchikey</kind>
      <value>AMVQGJHFDJVOOB-UHFFFAOYSA-H</value>
      <source>ChemAxon</source>
    </property>
  </predicted_properties>
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  <symptoms/>
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  <drugbank_id/>
  <hmdb_id/>
  <pubchem_compound_id>22377415</pubchem_compound_id>
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