<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4651</id>
  <title>T3D4597</title>
  <common-name>Heptanoic acid</common-name>
  <description>Heptanoic acid, also called enanthic acid, is an organic compound composed of a seven-carbon chain terminating in a carboxylic acid. It is an oily liquid with an unpleasant, rancid odor. It contributes to the odor of some rancid oils. It is slightly soluble in water, but well soluble in ethanol and ether.</description>
  <cas>111-14-8</cas>
  <pubchem-id>8094</pubchem-id>
  <chemical-formula>C7H14O2</chemical-formula>
  <weight>130.18</weight>
  <appearance nil="true"/>
  <melting-point>-7.5°C</melting-point>
  <boiling-point>222.2°C (432°F)</boiling-point>
  <density nil="true"/>
  <solubility>2.82 mg/mL</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">2014-09-05T17:12:12Z</created-at>
  <updated-at type="dateTime">2026-04-16T21:20:15Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Heptanoic acid</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C17714</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>45571</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB02938</drugbank-id>
  <pdb-id>SHV</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C7H14O2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)</moldb-inchi>
  <moldb-inchikey>MNWFXJYAOYHMED-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">130.1849</moldb-average-mass>
  <moldb-mono-mass type="decimal">130.099379692</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Liquid</state>
  <logp>2.42</logp>
  <hmdb-id>HMDB00666</hmdb-id>
  <chembl-id>CHEMBL320358</chembl-id>
  <chemspider-id>7803</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;Umberto Valcavi, Sergio Innocenti, Enrico Bosone, Paolo Farina, Vittorio Marotta, Gianbattista Zabban, &amp;#8220;Process for preparing 7-(2-hexyl-5-hydroxy-cyclopentyl)-heptanoic acid.&amp;#8221; U.S. Patent US4894473, issued September, 1985.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003557</chemdb-id>
  <dsstox-id>DTXSID2021600</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010236</susdat-id>
  <iupac>heptanoic acid</iupac>
</compound>
