<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4659</id>
  <title>T3D4605</title>
  <common-name>Behenic acid</common-name>
  <description>Behenic acid, also docosanoic acid, is a normal carboxylic acid, a fatty acid with formula C21H43COOH It is .an important constituent of the behen oil extracted from the seeds of the Ben-oil tree, and it is so named from the Persian month Bahman when the roots of this tree were harvested.</description>
  <cas>112-85-6</cas>
  <pubchem-id>8215</pubchem-id>
  <chemical-formula>C22H44O2</chemical-formula>
  <weight>340.6</weight>
  <appearance>White powder.</appearance>
  <melting-point>81 °C</melting-point>
  <boiling-point>306°C</boiling-point>
  <density nil="true"/>
  <solubility>1.6e-05 mg/mL</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-05T17:13:00Z</created-at>
  <updated-at type="dateTime">2026-04-16T22:15:32Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Behenic acid</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C08281</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>28941</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCCCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C22H44O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)</moldb-inchi>
  <moldb-inchikey>UKMSUNONTOPOIO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">340.5836</moldb-average-mass>
  <moldb-mono-mass type="decimal">340.334130652</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id>HMDB00944</hmdb-id>
  <chembl-id>CHEMBL1173474</chembl-id>
  <chemspider-id>7923</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>Lu, Jianmin; Li, He; Yang, Yiping; Du, Baoshan.  Preparation of behenic acid from erucic acid by hydrogenation at ordinary pressure.    Zhongguo Youzhi  (1997),  22(5),  57-58. </synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003565</chemdb-id>
  <dsstox-id>DTXSID3026930</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>docosanoic acid</iupac>
</compound>
