<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4837</id>
  <title>T3D4782</title>
  <common-name>Pentadecane</common-name>
  <description>Pentadecane belongs to the family of Acyclic Alkanes. These are acyclic hydrocarbons consisting only of n carbon atoms and m hydrogen atoms where m=2*n + 2</description>
  <cas>629-62-9</cas>
  <pubchem-id>12391</pubchem-id>
  <chemical-formula>C15H32</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>9.9°C</melting-point>
  <boiling-point>270.6°C</boiling-point>
  <density nil="true"/>
  <solubility>7.6E-005 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></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">2014-09-11T05:16:22Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:26:57Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C08388</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id>28897</chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id>DB03715</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>CCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C15H32</moldb-formula>
  <moldb-inchi>InChI=1S/C15H32/c1-3-5-7-9-11-13-15-14-12-10-8-6-4-2/h3-15H2,1-2H3</moldb-inchi>
  <moldb-inchikey>InChIKey=YCOZIPAWZNQLMR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">212.4146</moldb-average-mass>
  <moldb-mono-mass type="decimal">212.250401024</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Liquid</state>
  <logp></logp>
  <hmdb-id>HMDB59886</hmdb-id>
  <chembl-id>CHEMBL1234557</chembl-id>
  <chemspider-id>11885</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;Horst Upadek, Klaus Bruns, &amp;#8220;Preparation of 13-oxabicyclo[10.3.0]pentadecane.&amp;#8221; U.S. Patent US4360468, issued January, 1967.&lt;/p&gt;</synthesis-reference>
  <structure-image-caption nil="true"/>
</compound>
