<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4652</id>
  <title>T3D4598</title>
  <common-name>Nonadecanoic acid</common-name>
  <description>Nonadecanoic acid is an odd-numbered long chain fatty acid, likely derived from bacterial or plant sources. Nonadecanoic acid has been found in ox fats and vegetable oils. It is also used by certain insects as a phermone.</description>
  <cas>646-30-0</cas>
  <pubchem-id>12591</pubchem-id>
  <chemical-formula>C19H38O2</chemical-formula>
  <weight>298.5</weight>
  <appearance>White powder.</appearance>
  <melting-point>69.4 °C</melting-point>
  <boiling-point>236°C</boiling-point>
  <density nil="true"/>
  <solubility nil="true"/>
  <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">2014-09-05T17:12:18Z</created-at>
  <updated-at type="dateTime">2026-04-17T18:10:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C16535</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>39246</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C19H38O2</moldb-formula>
  <moldb-inchi>InChI=1S/C19H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h2-18H2,1H3,(H,20,21)</moldb-inchi>
  <moldb-inchikey>ISYWECDDZWTKFF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">298.5038</moldb-average-mass>
  <moldb-mono-mass type="decimal">298.28718046</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB00772</hmdb-id>
  <chembl-id>CHEMBL1169674</chembl-id>
  <chemspider-id>12071</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>Lee, Donald G.; Lamb, Shannon E.; Chang, Victor S. Carboxylic acids from the oxidation of terminal alkenes by permanganate: nonadecanoic acid. Organic Syntheses (1981), 60 11-14.</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003558</chemdb-id>
  <dsstox-id>DTXSID3060954</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010592</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>37.3</moldb-polar-surface-area>
  <moldb-refractivity>90.88659999999999</moldb-refractivity>
  <moldb-polarizability>40.778317657146275</moldb-polarizability>
  <moldb-rotatable-bond-count>17</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.952019655228562</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>8.42</moldb-alogps-logp>
  <moldb-alogps-logs>-6.64</moldb-alogps-logs>
  <moldb-alogps-solubility>6.79e-05 g/l</moldb-alogps-solubility>
</compound>
