<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1505</id>
  <title>T3D1501</title>
  <common-name>Dihydroxyaluminium</common-name>
  <description>Dihydroxyaluminium is an exogenous organic compound with the molecular formula C2H8AlNO4 and an average molecular weight of 137.07 g/mol. It exists as a solid at room temperature. Dihydroxyaluminium belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. This substance has been recorded as being found in or released from food, food processing, and cookware, specifically in the preparation of vinegar.

The compound interacts with several protein targets. It can interact with the estrogen receptor (ESR1), which may increase the expression of estrogen-related genes and contribute to the progression of breast cancer. Certain aluminum salts are known to activate the NALP3 inflammasome, inducing immune responses and the production of interleukins. Additionally, aluminum binds with dietary phosphorus, impairing its gastrointestinal absorption; this reduction in phosphate body burden results in rickets and osteomalacia, which is the softening of the bones due to defective bone mineralization. Other recorded protein targets include Troponin C, slow skeletal and cardiac muscles (TNNC1), as well as the non-selective voltage-gated ion channels VDAC1, VDAC2, and VDAC3.</description>
  <cas>13682-92-3</cas>
  <pubchem-id>18502861</pubchem-id>
  <chemical-formula>C2H8AlNO4</chemical-formula>
  <weight>137.026870</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L739) ; inhalation (L739)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236) Aluminum hydroxide is one component of the antacids recommended in the treatment of stomach ulcers and gastritis.  Antacids perform a neutralization reaction, ie. they buffer gastric acid, raising the pH to reduce acidity in the stomach. When gastric hydrochloric acid reaches the nerves in the gasitrointestinal mucosa, they signal pain to the central nervous system. This happens when these nerves are exposed, as in peptic ulcers. The gastric acid may also reach ulcers in the esophagus or the duodenum. Other mechanisms may contribute, such as the effect of aluminum ions inhibiting smooth muscle cell contraction and delaying gastric emptying.  Aluminum is known to bind troponin C (a muscle protein) and to interfere with voltage-dependent calcium transport.  Aluminum also binds to and inhibits the activity of mitochondrial voltage gated channels (VDAC).</mechanism-of-toxicity>
  <metabolism>Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739)</metabolism>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).</carcinogenicity>
  <use-source>Aluminium glycinate is an antacid. (L754)</use-source>
  <min-risk-level>Intermediate Oral: 1.0 mg/kg/day (L134) 
Chronic Oral: 1.0 mg/kg/day (L134)</min-risk-level>
  <health-effects>Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)</health-effects>
  <symptoms>Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)</symptoms>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-06-19T21:58:52Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:08:29Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Aluminium_monostearate</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id>C007420</ctd-id>
  <stitch-id>Aluminium glycinate</stitch-id>
  <drugbank-id>DB01375</drugbank-id>
  <pdb-id nil="true"/>
  <actor-id>20148</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>O.O.NCC(=O)O[Al]</moldb-smiles>
  <moldb-formula>C2H8AlNO4</moldb-formula>
  <moldb-inchi>InChI=1S/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+1;;/p-1</moldb-inchi>
  <moldb-inchikey>RBNPZEHAODHBPZ-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">137.0708</moldb-average-mass>
  <moldb-mono-mass type="decimal">137.02687119</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>-1.85</logp>
  <hmdb-id>HMDB15457</hmdb-id>
  <chembl-id nil="true"/>
  <chemspider-id>17615602</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference>&lt;p&gt;Jeffrey L. Kaufman, &amp;#8220;Preparation of dihydroxyaluminium sodium carbonate.&amp;#8221; U.S. Patent US4438085, issued October, 1977.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM001274</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area>52.32</moldb-polar-surface-area>
  <moldb-refractivity>15.0758</moldb-refractivity>
  <moldb-polarizability>8.338129382548987</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>7.187199589588061</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer">9</paper-count>
  <sync-id>CED0023464</sync-id>
  <structure-inchikey>RBNPZEHAODHBPZ-UHFFFAOYSA-M</structure-inchikey>
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  <structure-pattern-fingerprint>60000000000000000000000000000040000000000400000000040000000000000000000000000000000000400800004000000004400000000000011000000000000000000200042010000000000400000020000008000000902002000400000000000000000502000000000001001046000111000000010000200440000040000000000000088000000100400024440000000040800000000000843000000000000000008000000000002c0000000000800000000000200000000000000044000000000000000000000000000000000400800000000080000000000000000000000000000000000000000000000004000000000000050400002</structure-pattern-fingerprint>
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AGAAAAABAgYAYAAAAAICBgAoAAAAAwQIACgAAAADAggAKAAAAAMCDSCoAAAA
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:00:06Z</structure-indexed-at>
</compound>
