<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">75914</id>
  <title nil="true"/>
  <common-name>2,4,6-Trioxoheptanedioic acid</common-name>
  <description>2,4,6-Trioxoheptanedioic acid belongs to the medium-chain keto acids and derivatives, a subclass of keto acids and derivatives within the organic compounds. This organic acid and derivative has the chemical formula C7H6O7 and an average molecular weight of 202.12 g/mol.</description>
  <cas>5617-54-9</cas>
  <pubchem-id>79719</pubchem-id>
  <chemical-formula>C7H6O7</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">2026-04-04T05:33:40Z</created-at>
  <updated-at type="dateTime">2026-04-04T05:33:40Z</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)C(=O)CC(=O)CC(=O)C(O)=O</moldb-smiles>
  <moldb-formula>C7H6O7</moldb-formula>
  <moldb-inchi>InChI=1S/C7H6O7/c8-3(1-4(9)6(11)12)2-5(10)7(13)14/h1-2H2,(H,11,12)(H,13,14)</moldb-inchi>
  <moldb-inchikey>VIZWSBKJYCBUCA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">202.118</moldb-average-mass>
  <moldb-mono-mass type="decimal">202.011353</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>72018</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>CHEM071807</chemdb-id>
  <dsstox-id>DTXSID20204700</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00033474</susdat-id>
  <iupac>2,4,6-trioxoheptanedioic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organic acids and derivatives</superklass>
  <klass>Keto acids and derivatives</klass>
  <subklass>Medium-chain keto acids and derivatives</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0136532</sync-id>
  <structure-inchikey>VIZWSBKJYCBUCA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000000000000000000000000000000000000000080000000000000000004000000000000020000000000000000000000000000000000000000000000000020000000000000001000000000000000000000010000000000000000000000000000000000000000000000000000000000000000001000000000000000000080020000000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000000080000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ�����������������������€���h��������(�������(�������(�������(�������`�������(�������(�������`�������(�������(�������(�������h��������(�������� ��(��� ��(���������������	�	
(�	� �� �(�B��������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:24:05Z</structure-indexed-at>
</compound>
