<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4810</id>
  <title>T3D4755</title>
  <common-name>Stearic acid</common-name>
  <description>Stearic acid, also called octadecanoic acid, is one of the useful types of saturated fatty acids that comes from many animal and vegetable fats and oils. It is a waxy solid, and its chemical formula is CH3(CH2)16COOH. Its name comes from the Greek word stear, which means tallow. Its IUPAC name is octadecanoic acid. -- Wikipedia.</description>
  <cas>57-11-4</cas>
  <pubchem-id>5281</pubchem-id>
  <chemical-formula>C18H36O2</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>68.8°C</melting-point>
  <boiling-point>383°C</boiling-point>
  <density nil="true"/>
  <solubility>0.597 mg/L (at 25°C)</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>Acute oral toxicity (LD50): 4640 mg/kg [Rat]. Acute dermal toxicity (LD50): &gt;5000 mg/kg [Rabbit].



</toxicity>
  <lethaldose></lethaldose>
  <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></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-11T05:15:01Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:09:12Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Stearic acid</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C01530</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>28842</chebi-id>
  <biocyc-id>STEARIC_ACID</biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id>DB03193</drugbank-id>
  <pdb-id>STE</pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCCCCCCCCCCCCCCC(O)=O</moldb-smiles>
  <moldb-formula>C18H36O2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)</moldb-inchi>
  <moldb-inchikey>QIQXTHQIDYTFRH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">284.4772</moldb-average-mass>
  <moldb-mono-mass type="decimal">284.271530396</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>8.23</logp>
  <hmdb-id>HMDB00827</hmdb-id>
  <chembl-id>CHEMBL46403</chembl-id>
  <chemspider-id>5091</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;Arnold W. Fogel, &amp;#8220;12-hydroxy stearic acid esters, compositions based upon same and methods of using and making such compositions.&amp;#8221; U.S. Patent US5993861, issued July, 1998.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003712</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>octadecanoic acid</iupac>
</compound>
