<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">13237</id>
  <title nil="true"/>
  <common-name>1,2,4-Butanetricarboxylic acid, 2-phosphono-</common-name>
  <description nil="true"/>
  <cas>37971-36-1</cas>
  <pubchem-id>61973</pubchem-id>
  <chemical-formula>C7H11O9P</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T03:50:12Z</created-at>
  <updated-at type="dateTime">2026-03-26T19:53:47Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <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>OC(=O)CCC(CC(O)=O)(C(O)=O)P(O)(O)=O</moldb-smiles>
  <moldb-formula>C7H11O9P</moldb-formula>
  <moldb-inchi>InChI=1S/C7H11O9P/c8-4(9)1-2-7(6(12)13,3-5(10)11)17(14,15)16/h1-3H2,(H,8,9)(H,10,11)(H,12,13)(H2,14,15,16)</moldb-inchi>
  <moldb-inchikey>SZHQPBJEOCHCKM-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">270.13</moldb-average-mass>
  <moldb-mono-mass type="decimal">270.014068932</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>55824</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM012132</chemdb-id>
  <dsstox-id>DTXSID4027999</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001823</susdat-id>
  <iupac>2-phosphonobutane-1,2,4-tricarboxylic acid</iupac>
</compound>
