<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4657</id>
  <title>T3D4603</title>
  <common-name>Valeric acid</common-name>
  <description>Valeric acid, or pentanoic acid, is a straight chain alkyl carboxylic acid with the chemical formula CH3(CH2)3COOH. Like other low molecular weight carboxylic acids, it has a very unpleasant odor. It is found naturally in the perennial flowering plant valerian (Valeriana officinalis), from which it gets its name. Its primary use is in the synthesis of its esters. Volatile esters of valeric acid tend to have pleasant odors and are used in perfumes and cosmetics. Ethyl valerate and pentyl valerate are used as food additives because of their fruity flavors.</description>
  <cas>109-52-4</cas>
  <pubchem-id>7991</pubchem-id>
  <chemical-formula>C5H10O2</chemical-formula>
  <weight nil="true"/>
  <appearance></appearance>
  <melting-point>-34°C</melting-point>
  <boiling-point>186.1°C</boiling-point>
  <density nil="true"/>
  <solubility>2.4E+004 mg/L (at 25°C)</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">2014-09-05T17:12:46Z</created-at>
  <updated-at type="dateTime">2026-03-26T21:21:30Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Valeric acid</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C00803</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>17418</chebi-id>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB02406</drugbank-id>
  <pdb-id>LEA</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCCC(O)=O</moldb-smiles>
  <moldb-formula>C5H10O2</moldb-formula>
  <moldb-inchi>InChI=1S/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)</moldb-inchi>
  <moldb-inchikey>NQPDZGIKBAWPEJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">102.1317</moldb-average-mass>
  <moldb-mono-mass type="decimal">102.068079564</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Liquid</state>
  <logp>1.39</logp>
  <hmdb-id>HMDB00892</hmdb-id>
  <chembl-id>CHEMBL268736</chembl-id>
  <chemspider-id>7701</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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003563</chemdb-id>
  <dsstox-id>DTXSID7021655</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>pentanoic acid</iupac>
</compound>
