<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3121</id>
  <title>T3D3079</title>
  <common-name>Djenkolic acid</common-name>
  <description>Djenkolic acid is a plant toxin found in the beans of the South-East Asian legumes jengkol (Archidendron jiringa). It is nephrotoxic to humans. (L1236)</description>
  <cas>498-59-9</cas>
  <pubchem-id>68134</pubchem-id>
  <chemical-formula>C7H14N2O4S2</chemical-formula>
  <weight>254.039500</weight>
  <appearance>White powder.</appearance>
  <melting-point>325°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility></solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (ingestion) (L1817) ; dermal (L1817)</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>The toxicity of djenkolic acid in humans arises from its poor solubility under acidic conditions after consumption of the jenkol bean. The amino acid precipitates into crystals which cause mechanical irritation of the renal tubules and urinary tract. (L1236)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Djenkolic acid is a plant toxin found in the beans of the South-East Asian legumes jengkol (Archidendron jiringa). (L1236)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Djenkolic acid is nephrotoxic to humans. (L1236)</health-effects>
  <symptoms>Symptoms of djenkolic acid poisoning include abdominal discomfort, loin pains, severe colic, nausea, vomiting, dysuria, gross hematuria, and oliguria. Urolithiasis can also happen, with djenkolic acid as the nucleus. In young children it has also been reported to produce painful swelling of the genitalia. (L1236)</symptoms>
  <treatment>Treatment for djenkolic acid poisoning requires hydration to increase urine flow and alkalinization of urine by sodium bicarbonate. (L1236)</treatment>
  <created-at type="dateTime">2009-07-23T18:26:06Z</created-at>
  <updated-at type="dateTime">2014-12-24T20:25:57Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C08275</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Djenkolic acid</stitch-id>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>NC(CSCSCC(N)C(O)=O)C(O)=O</moldb-smiles>
  <moldb-formula>C7H14N2O4S2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)</moldb-inchi>
  <moldb-inchikey>InChIKey=JMQMNWIBUCGUDO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">254.327</moldb-average-mass>
  <moldb-mono-mass type="decimal">254.039498326</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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"/>
</compound>
