<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4431</id>
  <title>T3D4377</title>
  <common-name>Histamine</common-name>
  <description>Histamine is an amine derived by enzymatic decarboxylation of histidine. It is a powerful stimulant of gastric secretion, a constrictor of bronchial smooth muscle, a vasodilator, and also a centrally acting neurotransmitter.</description>
  <cas>51-45-6</cas>
  <pubchem-id>774</pubchem-id>
  <chemical-formula>C5H9N3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>86°C</melting-point>
  <boiling-point>209.5°C (409.1°F)</boiling-point>
  <density nil="true"/>
  <solubility></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">2014-08-29T06:37:04Z</created-at>
  <updated-at type="dateTime">2026-04-14T15:38:30Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>Histamine</wikipedia>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C00388</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>18295</chebi-id>
  <biocyc-id>HISTAMINE</biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id>DB05381</drugbank-id>
  <pdb-id>HSM</pdb-id>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>NCCC1=CNC=N1</moldb-smiles>
  <moldb-formula>C5H9N3</moldb-formula>
  <moldb-inchi>InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)</moldb-inchi>
  <moldb-inchikey>NTYJJOPFIAHURM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">111.1451</moldb-average-mass>
  <moldb-mono-mass type="decimal">111.079647303</moldb-mono-mass>
  <origin>Endogenous</origin>
  <state>Solid</state>
  <logp>-0.7</logp>
  <hmdb-id>HMDB00870</hmdb-id>
  <chembl-id>CHEMBL90</chembl-id>
  <chemspider-id>753</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>Pyman, Frank L. 2-Thiol-4(5)-b-aminoethylglyoxaline (2-thiolhistamine). Journal of the Chemical Society (1930), 98-100.</synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003337</chemdb-id>
  <dsstox-id>DTXSID4023125</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00007243</stoff-ident-id>
  <susdat-id>NS00004684</susdat-id>
  <iupac>2-(1H-imidazol-4-yl)ethan-1-amine</iupac>
</compound>
