<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4514</id>
  <title>T3D4460</title>
  <common-name>Adipic acid</common-name>
  <description>Adipic acid is an important inudstrial dicarboxylic acid with about 2.5 billion kilograms produced per year. It is used mainly in the production of nylon. It occurs relatively rarely in nature. It has a tart taste and is also used as an additive and gelling agent in jello or gelatins. It is also used in some calcium carbonate antacids to make them tart. Adipic acid has also been incorporated into controlled-release formulation matrix tablets to obtain pH-independent release for both weakly basic and weakly acidic drugs. Adipic acid in the urine and in the blood is typically exogenous in origin and is a good biomarker of jello consumption. In fact, a condition known as adipic aciduria is actually an artifact of jello consumption  However, certain disorders (such as diabetes and glutaric aciduria type I.) can lead to elevated levels of adipic acid snd other dicarboxcylic acids (such as suberic acid) in urine  (A3520, A3521, A3522).</description>
  <cas>124-04-9</cas>
  <pubchem-id>196</pubchem-id>
  <chemical-formula>C6H10O4</chemical-formula>
  <weight>146.14</weight>
  <appearance>White powder.</appearance>
  <melting-point>151 - 154°C</melting-point>
  <boiling-point>337.5°C (639.5°F)</boiling-point>
  <density nil="true"/>
  <solubility>30.8 mg/mL at 34°C</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:29Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:35:26Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Adipic acid</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C06104</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>30832</chebi-id>
  <biocyc-id>CPD-468</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id>0L1</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>OC(=O)CCCCC(O)=O</moldb-smiles>
  <moldb-formula>C6H10O4</moldb-formula>
  <moldb-inchi>InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)</moldb-inchi>
  <moldb-inchikey>WNLRTRBMVRJNCN-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">146.1412</moldb-average-mass>
  <moldb-mono-mass type="decimal">146.057908808</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>0.08</logp>
  <hmdb-id>HMDB00448</hmdb-id>
  <chembl-id>CHEMBL1157</chembl-id>
  <chemspider-id>191</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>Saito, Kenji.  Recovery of adipic acid. Jpn. Kokai Tokkyo Koho  (1976),     5 pp.</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003420</chemdb-id>
  <dsstox-id>DTXSID7021605</dsstox-id>
  <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>74.6</moldb-polar-surface-area>
  <moldb-refractivity>32.739000000000004</moldb-refractivity>
  <moldb-polarizability>14.238564672184342</moldb-polarizability>
  <moldb-rotatable-bond-count>5</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>3.9174684741961965</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>-2</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>0.13</moldb-alogps-logp>
  <moldb-alogps-logs>-0.66</moldb-alogps-logs>
  <moldb-alogps-solubility>3.22e+01 g/l</moldb-alogps-solubility>
</compound>
